2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methylthieno[3,2-c]pyridin-4-amine

C237H234Cl2F2N32O7S3 — CID 160978191

IUPAC2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methylthieno[3,2-c]pyridin-4-amine
SMILESCOc1ccc2ccc(C)cc2c1.Cc1cc2c(N)nccc2o1.Cc1cc2c(N)nccc2s1.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1F.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(N)nsc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CN=C2N.Cc1ccc2c(c1)NCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cc(F)ccc2c1.Cc1ccc2cc[nH]c2c1.Cc1ccc2ccc(C(N)=O)cc2c1.Cc1ccc2ccc(CN)cc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1.Clc1ccc2ccccc2c1
InChIInChI=1S/2C12H11NO.2C12H13N.C12H12O.C11H9Cl.2C11H9F.C10H7Cl.2C9H10N2.C9H9NO.C9H11N.C9H9N.C9H11N.C9H9N.3C8H8N2O.3C8H8N2S.2C8H8N2.C7H7N3/c1-8-2-3-9-4-5-10(12(13)14)7-11(9)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-2-4-11-5-3-10(8-13)7-12(11)6-9;1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;2*1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12;11-10-6-5-8-3-1-2-4-9(8)7-10;1-6-2-3-8-7(4-6)5-11-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-2-3-7-5-10-9(11)8(7)4-6;2*1-7-2-3-9-8(6-7)4-5-10-9;2*1-7-2-3-8-4-5-10-9(8)6-7;1-5-4-6-7(11-5)2-3-10-8(6)9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9;1-5-4-6-7(11-5)2-3-10-8(6)9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;1-5-2-3-6-7(4-5)9-10-8-6/h2*2-7H,1H3,(H2,13,14);2*2-7H,8,13H2,1H3;3-8H,1-2H3;3*2-7H,1H3;1-7H;2*2-4H,5H2,1H3,(H2,10,11);2-4H,5H2,1H3,(H,10,11);2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;6*2-4H,1H3,(H2,9,10);2*2-5H,1H3,(H,9,10);2-4H,1H3,(H,8,9,10)
InChIKeySZDRDMXNRTWCOA-UHFFFAOYSA-N
MW3847.80 g/mol
LogP56.00
Rot. Bonds5

About 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methylthieno[3,2-c]pyridin-4-amine

2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methylthieno[3,2-c]pyridin-4-amine (PubChem CID 160978191) has the molecular formula C237H234Cl2F2N32O7S3 and a molecular weight of 3847.80 g/mol. Its IUPAC name is 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methylthieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methylthieno[3,2-c]pyridin-4-amine
PubChem CID160978191
Molecular FormulaC237H234Cl2F2N32O7S3
Molecular Weight3847.80 g/mol
Exact Mass3843.74
IUPAC Name2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methylthieno[3,2-c]pyridin-4-amine
SMILESCOc1ccc2ccc(C)cc2c1.Cc1cc2c(N)nccc2o1.Cc1cc2c(N)nccc2s1.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1F.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(N)nsc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CN=C2N.Cc1ccc2c(c1)NCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cc(F)ccc2c1.Cc1ccc2cc[nH]c2c1.Cc1ccc2ccc(C(N)=O)cc2c1.Cc1ccc2ccc(CN)cc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1.Clc1ccc2ccccc2c1
InChIInChI=1S/2C12H11NO.2C12H13N.C12H12O.C11H9Cl.2C11H9F.C10H7Cl.2C9H10N2.C9H9NO.C9H11N.C9H9N.C9H11N.C9H9N.3C8H8N2O.3C8H8N2S.2C8H8N2.C7H7N3/c1-8-2-3-9-4-5-10(12(13)14)7-11(9)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-2-4-11-5-3-10(8-13)7-12(11)6-9;1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;2*1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12;11-10-6-5-8-3-1-2-4-9(8)7-10;1-6-2-3-8-7(4-6)5-11-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-2-3-7-5-10-9(11)8(7)4-6;2*1-7-2-3-9-8(6-7)4-5-10-9;2*1-7-2-3-8-4-5-10-9(8)6-7;1-5-4-6-7(11-5)2-3-10-8(6)9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9;1-5-4-6-7(11-5)2-3-10-8(6)9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;1-5-2-3-6-7(4-5)9-10-8-6/h2*2-7H,1H3,(H2,13,14);2*2-7H,8,13H2,1H3;3-8H,1-2H3;3*2-7H,1H3;1-7H;2*2-4H,5H2,1H3,(H2,10,11);2-4H,5H2,1H3,(H,10,11);2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;6*2-4H,1H3,(H2,9,10);2*2-5H,1H3,(H,9,10);2-4H,1H3,(H,8,9,10)
InChIKeySZDRDMXNRTWCOA-UHFFFAOYSA-N
XLogP56.00
TPSA680.76 Ų
H-Bond Donors20
H-Bond Acceptors34
Rotatable Bonds5
Heavy Atoms283
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003847.80
LogP ≤ 556.00
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1034

Analyze 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methylthieno[3,2-c]pyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methylthieno[3,2-c]pyridin-4-amine?
The IUPAC name of 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methylthieno[3,2-c]pyridin-4-amine (CID 160978191) is 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methylthieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methylthieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methylthieno[3,2-c]pyridin-4-amine is COc1ccc2ccc(C)cc2c1.Cc1cc2c(N)nccc2o1.Cc1cc2c(N)nccc2s1.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1F.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(N)nsc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CN=C2N.Cc1ccc2c(c1)NCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cc(F)ccc2c1.Cc1ccc2cc[nH]c2c1.Cc1ccc2ccc(C(N)=O)cc2c1.Cc1ccc2ccc(CN)cc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1.Clc1ccc2ccccc2c1.
What is the InChIKey of 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methylthieno[3,2-c]pyridin-4-amine?
The InChIKey is SZDRDMXNRTWCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11NO.2C12H13N.C12H12O.C11H9Cl.2C11H9F.C10H7Cl.2C9H10N2.C9H9NO.C9H11N.C9H9N.C9H11N.C9H9N.3C8H8N2O.3C8H8N2S.2C8H8N2.C7H7N3/c1-8-2-3-9-4-5-10(12(13)14)7-11(9)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-2-4-11-5-3-10(8-13)7-12(11)6-9;1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;2*1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12;11-10-6-5-8-3-1-2-4-9(8)7-10;1-6-2-3-8-7(4-6)5-11-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-2-3-7-5-10-9(11)8(7)4-6;2*1-7-2-3-9-8(6-7)4-5-10-9;2*1-7-2-3-8-4-5-10-9(8)6-7;1-5-4-6-7(11-5)2-3-10-8(6)9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9;1-5-4-6-7(11-5)2-3-10-8(6)9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;1-5-2-3-6-7(4-5)9-10-8-6/h2*2-7H,1H3,(H2,13,14);2*2-7H,8,13H2,1H3;3-8H,1-2H3;3*2-7H,1H3;1-7H;2*2-4H,5H2,1H3,(H2,10,11);2-4H,5H2,1H3,(H,10,11);2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;6*2-4H,1H3,(H2,9,10);2*2-5H,1H3,(H,9,10);2-4H,1H3,(H,8,9,10).
What are the key properties of 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methylthieno[3,2-c]pyridin-4-amine?
2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methylthieno[3,2-c]pyridin-4-amine has a molecular weight of 3847.80 g/mol, XLogP of 56.00, 5 rotatable bonds, 20 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylnaphthalene;2-chloronaphthalene;2-fluoro-3-methylnaphthalene;2-fluoro-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methylthieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 160978191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).