2-chloro-3-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;bis(5-methyl-1H-indazol-3-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

C137H138ClN21O6S2 — CID 159262326

IUPAC2-chloro-3-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;bis(5-methyl-1H-indazol-3-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
SMILESCOc1ccc2ccc(C)cc2c1.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(N)nsc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2ccc(C(N)=O)cc2c1.Cc1ccc2ccc(CN)cc2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1
InChIInChI=1S/2C12H11NO.2C12H13N.C12H12O.C11H9Cl.C9H10N2.C9H9NO.2C8H9N3.2C8H8N2O.2C8H8N2S/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;1-8-6-9-4-2-3-5-10(9)7-11(8)12;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*1-5-2-3-7-6(4-5)8(9)11-10-7;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;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9/h2*2-7H,1H3,(H2,13,14);2*2-7H,8,13H2,1H3;3-8H,1-2H3;2-7H,1H3;2-4H,5H2,1H3,(H2,10,11);2-4H,5H2,1H3,(H,10,11);2*2-4H,1H3,(H3,9,10,11);4*2-4H,1H3,(H2,9,10)
InChIKeyKWRAPNDZYUTRKJ-UHFFFAOYSA-N
MW2274.34 g/mol
LogP29.84
Rot. Bonds5

About 2-chloro-3-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;bis(5-methyl-1H-indazol-3-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-chloro-3-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;bis(5-methyl-1H-indazol-3-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 (PubChem CID 159262326) has the molecular formula C137H138ClN21O6S2 and a molecular weight of 2274.34 g/mol. Its IUPAC name is 2-chloro-3-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;bis(5-methyl-1H-indazol-3-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.

Molecular Properties

Compound Name2-chloro-3-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;bis(5-methyl-1H-indazol-3-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
PubChem CID159262326
Molecular FormulaC137H138ClN21O6S2
Molecular Weight2274.34 g/mol
Exact Mass2272.03
IUPAC Name2-chloro-3-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;bis(5-methyl-1H-indazol-3-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
SMILESCOc1ccc2ccc(C)cc2c1.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(N)nsc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2ccc(C(N)=O)cc2c1.Cc1ccc2ccc(CN)cc2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1
InChIInChI=1S/2C12H11NO.2C12H13N.C12H12O.C11H9Cl.C9H10N2.C9H9NO.2C8H9N3.2C8H8N2O.2C8H8N2S/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;1-8-6-9-4-2-3-5-10(9)7-11(8)12;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*1-5-2-3-7-6(4-5)8(9)11-10-7;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;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9/h2*2-7H,1H3,(H2,13,14);2*2-7H,8,13H2,1H3;3-8H,1-2H3;2-7H,1H3;2-4H,5H2,1H3,(H2,10,11);2-4H,5H2,1H3,(H,10,11);2*2-4H,1H3,(H3,9,10,11);4*2-4H,1H3,(H2,9,10)
InChIKeyKWRAPNDZYUTRKJ-UHFFFAOYSA-N
XLogP29.84
TPSA506.25 Ų
H-Bond Donors14
H-Bond Acceptors24
Rotatable Bonds5
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002274.34
LogP ≤ 529.84
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1024

Analyze 2-chloro-3-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;bis(5-methyl-1H-indazol-3-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;bis(5-methyl-1H-indazol-3-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?
The IUPAC name of 2-chloro-3-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;bis(5-methyl-1H-indazol-3-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 (CID 159262326) is 2-chloro-3-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;bis(5-methyl-1H-indazol-3-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.
What is the SMILES notation for 2-chloro-3-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;bis(5-methyl-1H-indazol-3-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?
The canonical SMILES for 2-chloro-3-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;bis(5-methyl-1H-indazol-3-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 is COc1ccc2ccc(C)cc2c1.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(N)nsc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2ccc(C(N)=O)cc2c1.Cc1ccc2ccc(CN)cc2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1.
What is the InChIKey of 2-chloro-3-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;bis(5-methyl-1H-indazol-3-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?
The InChIKey is KWRAPNDZYUTRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11NO.2C12H13N.C12H12O.C11H9Cl.C9H10N2.C9H9NO.2C8H9N3.2C8H8N2O.2C8H8N2S/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;1-8-6-9-4-2-3-5-10(9)7-11(8)12;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*1-5-2-3-7-6(4-5)8(9)11-10-7;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;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9/h2*2-7H,1H3,(H2,13,14);2*2-7H,8,13H2,1H3;3-8H,1-2H3;2-7H,1H3;2-4H,5H2,1H3,(H2,10,11);2-4H,5H2,1H3,(H,10,11);2*2-4H,1H3,(H3,9,10,11);4*2-4H,1H3,(H2,9,10).
What are the key properties of 2-chloro-3-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;bis(5-methyl-1H-indazol-3-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-chloro-3-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;bis(5-methyl-1H-indazol-3-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 has a molecular weight of 2274.34 g/mol, XLogP of 29.84, 5 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;bis(5-methyl-1H-indazol-3-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 is sourced from PubChem (CID 159262326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).