1-chloro-3-methylbenzene;2-hydroxy-5-methylbenzenecarboximidamide;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1-benzofuran-3-amine;3-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;5-methyl-1H-indol-3-amine;6-methyl-3H-isoindol-1-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinolin-2-amine

C144H159ClN24O6S — CID 157094293

IUPAC1-chloro-3-methylbenzene;2-hydroxy-5-methylbenzenecarboximidamide;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1-benzofuran-3-amine;3-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;5-methyl-1H-indol-3-amine;6-methyl-3H-isoindol-1-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinolin-2-amine
SMILESCOc1ccc(C)cc1.COc1cccc(C)c1.Cc1ccc2[nH]cc(N)c2c1.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2ccc(N)nc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2occ(N)c2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1.Cc1cccc(C#N)c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1ccccc1CN.[H]/N=C(\N)c1cc(C)ccc1O
InChIInChI=1S/3C10H10N2.2C9H10N2.C9H9NO.C8H9N3.C8H8N2O.C8H10N2O.C8H8N2S.C8H9NO.C8H11N.C8H7N.C8H11N.2C8H10O.C7H7Cl/c1-7-2-3-9-8(6-7)4-5-12-10(9)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-7-2-3-8-4-5-10(11)12-9(8)6-7;1-6-2-3-9-7(4-6)8(10)5-11-9;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-2-3-9-7(4-6)8(10)5-11-9;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;1-5-2-3-7(11)6(4-5)8(9)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;2*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;1-7-4-3-5-8(6-7)9-2;1-6-3-2-4-7(8)5-6/h3*2-6H,1H3,(H2,11,12);2-5,11H,10H2,1H3;2-4H,5H2,1H3,(H2,10,11);2-5H,10H2,1H3;2-4H,1H3,(H3,9,10,11);2-4H,1H3,(H2,9,10);2-4,11H,1H3,(H3,9,10);2-4H,1H3,(H2,9,10);2-5H,1H3,(H2,9,10);2-5H,6,9H2,1H3;2-5H,1H3;2-5H,6,9H2,1H3;2*3-6H,1-2H3;2-5H,1H3
InChIKeyAFAIQCVQXHTINC-UHFFFAOYSA-N
MW2389.54 g/mol
LogP30.84
Rot. Bonds6

About 1-chloro-3-methylbenzene;2-hydroxy-5-methylbenzenecarboximidamide;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1-benzofuran-3-amine;3-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;5-methyl-1H-indol-3-amine;6-methyl-3H-isoindol-1-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinolin-2-amine

1-chloro-3-methylbenzene;2-hydroxy-5-methylbenzenecarboximidamide;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1-benzofuran-3-amine;3-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;5-methyl-1H-indol-3-amine;6-methyl-3H-isoindol-1-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinolin-2-amine (PubChem CID 157094293) has the molecular formula C144H159ClN24O6S and a molecular weight of 2389.54 g/mol. Its IUPAC name is 1-chloro-3-methylbenzene;2-hydroxy-5-methylbenzenecarboximidamide;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1-benzofuran-3-amine;3-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;5-methyl-1H-indol-3-amine;6-methyl-3H-isoindol-1-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinolin-2-amine.

Molecular Properties

Compound Name1-chloro-3-methylbenzene;2-hydroxy-5-methylbenzenecarboximidamide;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1-benzofuran-3-amine;3-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;5-methyl-1H-indol-3-amine;6-methyl-3H-isoindol-1-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinolin-2-amine
PubChem CID157094293
Molecular FormulaC144H159ClN24O6S
Molecular Weight2389.54 g/mol
Exact Mass2387.23
IUPAC Name1-chloro-3-methylbenzene;2-hydroxy-5-methylbenzenecarboximidamide;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1-benzofuran-3-amine;3-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;5-methyl-1H-indol-3-amine;6-methyl-3H-isoindol-1-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinolin-2-amine
SMILESCOc1ccc(C)cc1.COc1cccc(C)c1.Cc1ccc2[nH]cc(N)c2c1.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2ccc(N)nc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2occ(N)c2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1.Cc1cccc(C#N)c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1ccccc1CN.[H]/N=C(\N)c1cc(C)ccc1O
InChIInChI=1S/3C10H10N2.2C9H10N2.C9H9NO.C8H9N3.C8H8N2O.C8H10N2O.C8H8N2S.C8H9NO.C8H11N.C8H7N.C8H11N.2C8H10O.C7H7Cl/c1-7-2-3-9-8(6-7)4-5-12-10(9)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-7-2-3-8-4-5-10(11)12-9(8)6-7;1-6-2-3-9-7(4-6)8(10)5-11-9;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-2-3-9-7(4-6)8(10)5-11-9;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;1-5-2-3-7(11)6(4-5)8(9)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;2*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;1-7-4-3-5-8(6-7)9-2;1-6-3-2-4-7(8)5-6/h3*2-6H,1H3,(H2,11,12);2-5,11H,10H2,1H3;2-4H,5H2,1H3,(H2,10,11);2-5H,10H2,1H3;2-4H,1H3,(H3,9,10,11);2-4H,1H3,(H2,9,10);2-4,11H,1H3,(H3,9,10);2-4H,1H3,(H2,9,10);2-5H,1H3,(H2,9,10);2-5H,6,9H2,1H3;2-5H,1H3;2-5H,6,9H2,1H3;2*3-6H,1-2H3;2-5H,1H3
InChIKeyAFAIQCVQXHTINC-UHFFFAOYSA-N
XLogP30.84
TPSA589.22 Ų
H-Bond Donors17
H-Bond Acceptors27
Rotatable Bonds6
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002389.54
LogP ≤ 530.84
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-chloro-3-methylbenzene;2-hydroxy-5-methylbenzenecarboximidamide;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1-benzofuran-3-amine;3-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;5-methyl-1H-indol-3-amine;6-methyl-3H-isoindol-1-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methylbenzene;2-hydroxy-5-methylbenzenecarboximidamide;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1-benzofuran-3-amine;3-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;5-methyl-1H-indol-3-amine;6-methyl-3H-isoindol-1-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinolin-2-amine?
The IUPAC name of 1-chloro-3-methylbenzene;2-hydroxy-5-methylbenzenecarboximidamide;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1-benzofuran-3-amine;3-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;5-methyl-1H-indol-3-amine;6-methyl-3H-isoindol-1-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinolin-2-amine (CID 157094293) is 1-chloro-3-methylbenzene;2-hydroxy-5-methylbenzenecarboximidamide;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1-benzofuran-3-amine;3-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;5-methyl-1H-indol-3-amine;6-methyl-3H-isoindol-1-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinolin-2-amine.
What is the SMILES notation for 1-chloro-3-methylbenzene;2-hydroxy-5-methylbenzenecarboximidamide;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1-benzofuran-3-amine;3-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;5-methyl-1H-indol-3-amine;6-methyl-3H-isoindol-1-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinolin-2-amine?
The canonical SMILES for 1-chloro-3-methylbenzene;2-hydroxy-5-methylbenzenecarboximidamide;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1-benzofuran-3-amine;3-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;5-methyl-1H-indol-3-amine;6-methyl-3H-isoindol-1-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinolin-2-amine is COc1ccc(C)cc1.COc1cccc(C)c1.Cc1ccc2[nH]cc(N)c2c1.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2ccc(N)nc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2occ(N)c2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1.Cc1cccc(C#N)c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1ccccc1CN.[H]/N=C(\N)c1cc(C)ccc1O.
What is the InChIKey of 1-chloro-3-methylbenzene;2-hydroxy-5-methylbenzenecarboximidamide;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1-benzofuran-3-amine;3-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;5-methyl-1H-indol-3-amine;6-methyl-3H-isoindol-1-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinolin-2-amine?
The InChIKey is AFAIQCVQXHTINC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H10N2.2C9H10N2.C9H9NO.C8H9N3.C8H8N2O.C8H10N2O.C8H8N2S.C8H9NO.C8H11N.C8H7N.C8H11N.2C8H10O.C7H7Cl/c1-7-2-3-9-8(6-7)4-5-12-10(9)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-7-2-3-8-4-5-10(11)12-9(8)6-7;1-6-2-3-9-7(4-6)8(10)5-11-9;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-2-3-9-7(4-6)8(10)5-11-9;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;1-5-2-3-7(11)6(4-5)8(9)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;2*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;1-7-4-3-5-8(6-7)9-2;1-6-3-2-4-7(8)5-6/h3*2-6H,1H3,(H2,11,12);2-5,11H,10H2,1H3;2-4H,5H2,1H3,(H2,10,11);2-5H,10H2,1H3;2-4H,1H3,(H3,9,10,11);2-4H,1H3,(H2,9,10);2-4,11H,1H3,(H3,9,10);2-4H,1H3,(H2,9,10);2-5H,1H3,(H2,9,10);2-5H,6,9H2,1H3;2-5H,1H3;2-5H,6,9H2,1H3;2*3-6H,1-2H3;2-5H,1H3.
What are the key properties of 1-chloro-3-methylbenzene;2-hydroxy-5-methylbenzenecarboximidamide;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1-benzofuran-3-amine;3-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;5-methyl-1H-indol-3-amine;6-methyl-3H-isoindol-1-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinolin-2-amine?
1-chloro-3-methylbenzene;2-hydroxy-5-methylbenzenecarboximidamide;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1-benzofuran-3-amine;3-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;5-methyl-1H-indol-3-amine;6-methyl-3H-isoindol-1-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinolin-2-amine has a molecular weight of 2389.54 g/mol, XLogP of 30.84, 6 rotatable bonds, 17 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methylbenzene;2-hydroxy-5-methylbenzenecarboximidamide;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1-benzofuran-3-amine;3-methylbenzonitrile;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;5-methyl-1H-indol-3-amine;6-methyl-3H-isoindol-1-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinolin-2-amine is sourced from PubChem (CID 157094293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).