(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine

C126H147F4N23O3 — CID 159152727

IUPAC(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine
SMILESCOc1ccc(C)cc1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1ccc(CN)cc1.Cc1ccc(F)cc1CN.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1ccc2onc(N)c2c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(F)c1CN.Cc1ccccc1CN
InChIInChI=1S/C10H10N2.3C9H9N3.C9H10N2.4C8H10FN.C8H8N2O.C8H9NO.3C8H11N.C8H10O/c1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-4-8(9)3-2-7(6)5-10;1-6-2-3-8(9)4-7(6)5-10;1-6-7(5-10)3-2-4-8(6)9;1-6-3-2-4-8(9)7(6)5-10;1-5-2-3-7-6(4-5)8(9)10-11-7;1-6-3-2-4-7(5-6)8(9)10;1-7-2-4-8(6-9)5-3-7;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7/h2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12);2*2-5H,1H3,(H2,10,12);2-4H,5H2,1H3,(H2,10,11);4*2-4H,5,10H2,1H3;2-4H,1H3,(H2,9,10);2-5H,1H3,(H2,9,10);3*2-5H,6,9H2,1H3;3-6H,1-2H3
InChIKeyKJMVZUZMSUAPEU-UHFFFAOYSA-N
MW2107.71 g/mol
LogP23.45
Rot. Bonds9

About (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine

(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine (PubChem CID 159152727) has the molecular formula C126H147F4N23O3 and a molecular weight of 2107.71 g/mol. Its IUPAC name is (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine.

Molecular Properties

Compound Name(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine
PubChem CID159152727
Molecular FormulaC126H147F4N23O3
Molecular Weight2107.71 g/mol
Exact Mass2106.20
IUPAC Name(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine
SMILESCOc1ccc(C)cc1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1ccc(CN)cc1.Cc1ccc(F)cc1CN.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1ccc2onc(N)c2c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(F)c1CN.Cc1ccccc1CN
InChIInChI=1S/C10H10N2.3C9H9N3.C9H10N2.4C8H10FN.C8H8N2O.C8H9NO.3C8H11N.C8H10O/c1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-4-8(9)3-2-7(6)5-10;1-6-2-3-8(9)4-7(6)5-10;1-6-7(5-10)3-2-4-8(6)9;1-6-3-2-4-8(9)7(6)5-10;1-5-2-3-7-6(4-5)8(9)10-11-7;1-6-3-2-4-7(5-6)8(9)10;1-7-2-4-8(6-9)5-3-7;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7/h2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12);2*2-5H,1H3,(H2,10,12);2-4H,5H2,1H3,(H2,10,11);4*2-4H,5,10H2,1H3;2-4H,1H3,(H2,9,10);2-5H,1H3,(H2,9,10);3*2-5H,6,9H2,1H3;3-6H,1-2H3
InChIKeyKJMVZUZMSUAPEU-UHFFFAOYSA-N
XLogP23.45
TPSA519.20 Ų
H-Bond Donors14
H-Bond Acceptors25
Rotatable Bonds9
Heavy Atoms156
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002107.71
LogP ≤ 523.45
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1025

Analyze (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine?
The IUPAC name of (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine (CID 159152727) is (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine.
What is the SMILES notation for (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine?
The canonical SMILES for (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine is COc1ccc(C)cc1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1ccc(CN)cc1.Cc1ccc(F)cc1CN.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1ccc2onc(N)c2c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(F)c1CN.Cc1ccccc1CN.
What is the InChIKey of (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine?
The InChIKey is KJMVZUZMSUAPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.3C9H9N3.C9H10N2.4C8H10FN.C8H8N2O.C8H9NO.3C8H11N.C8H10O/c1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-4-8(9)3-2-7(6)5-10;1-6-2-3-8(9)4-7(6)5-10;1-6-7(5-10)3-2-4-8(6)9;1-6-3-2-4-8(9)7(6)5-10;1-5-2-3-7-6(4-5)8(9)10-11-7;1-6-3-2-4-7(5-6)8(9)10;1-7-2-4-8(6-9)5-3-7;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7/h2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12);2*2-5H,1H3,(H2,10,12);2-4H,5H2,1H3,(H2,10,11);4*2-4H,5,10H2,1H3;2-4H,1H3,(H2,9,10);2-5H,1H3,(H2,9,10);3*2-5H,6,9H2,1H3;3-6H,1-2H3.
What are the key properties of (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine?
(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine has a molecular weight of 2107.71 g/mol, XLogP of 23.45, 9 rotatable bonds, 14 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine is sourced from PubChem (CID 159152727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).