2-chloro-3-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzoxazol-3-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine

C161H152Cl3FN14O8S — CID 172987394

About 2-chloro-3-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzoxazol-3-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine

2-chloro-3-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzoxazol-3-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine (PubChem CID 172987394) has the molecular formula C161H152Cl3FN14O8S and a molecular weight of 2568.50 g/mol. Its IUPAC name is 2-chloro-3-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzoxazol-3-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine.

Molecular Properties

• Compound Name: 2-chloro-3-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzoxazol-3-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine
• PubChem CID: 172987394
• Molecular Formula: C161H152Cl3FN14O8S
• Molecular Weight: 2568.50 g/mol
• Exact Mass: 2565.07
• IUPAC Name: 2-chloro-3-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzoxazol-3-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine
• SMILES: COc1ccc2ccc(C)cc2c1.Cc1cc2ccc(Cl)cc2cc1C(N)=O.Cc1cc2ccc(Cl)cc2cc1CN.Cc1cc2ccccc2cc1/C(N)=N\O.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1ccc2ccc(C(N)=O)cc2c1.Cc1ccc2ccc(CN)cc2c1.Cc1ccc2onc(N)c2c1.[H]/N=C(\N)c1cc2ccccc2cc1C
• InChI: InChI=1S/C12H10ClNO.C12H12ClN.C12H12N2O.C12H12N2.2C12H11NO.2C12H13N.C12H9N.C12H12O.C11H9Cl.C11H9F.C11H11NO2S.C8H8N2O/c1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14-15;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-8-2-3-9-4-5-10(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;2*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*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;1-5-2-3-7-6(4-5)8(9)10-11-7/h2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;2-7,15H,1H3,(H2,13,14);2-7H,1H3,(H3,13,14);2*2-7H,1H3,(H2,13,14);2*2-7H,8,13H2,1H3;2-7H,1H3;3-8H,1-2H3;2*2-7H,1H3;2-7H,1H3,(H2,12,13,14);2-4H,1H3,(H2,9,10)
• InChIKey: OQPNQDFFPUVJLH-UHFFFAOYSA-N
• XLogP: 37.32
• TPSA: 461.04 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2568.50
LogP ≤ 5	37.32
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzoxazol-3-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine?

The IUPAC name of 2-chloro-3-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzoxazol-3-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine (CID 172987394) is 2-chloro-3-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzoxazol-3-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine.

What is the SMILES notation for 2-chloro-3-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzoxazol-3-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine?

The canonical SMILES for 2-chloro-3-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzoxazol-3-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine is COc1ccc2ccc(C)cc2c1.Cc1cc2ccc(Cl)cc2cc1C(N)=O.Cc1cc2ccc(Cl)cc2cc1CN.Cc1cc2ccccc2cc1/C(N)=N\O.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1ccc2ccc(C(N)=O)cc2c1.Cc1ccc2ccc(CN)cc2c1.Cc1ccc2onc(N)c2c1.[H]/N=C(\N)c1cc2ccccc2cc1C.

What is the InChIKey of 2-chloro-3-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzoxazol-3-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine?

The InChIKey is OQPNQDFFPUVJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO.C12H12ClN.C12H12N2O.C12H12N2.2C12H11NO.2C12H13N.C12H9N.C12H12O.C11H9Cl.C11H9F.C11H11NO2S.C8H8N2O/c1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14-15;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-8-2-3-9-4-5-10(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;2*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*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;1-5-2-3-7-6(4-5)8(9)10-11-7/h2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;2-7,15H,1H3,(H2,13,14);2-7H,1H3,(H3,13,14);2*2-7H,1H3,(H2,13,14);2*2-7H,8,13H2,1H3;2-7H,1H3;3-8H,1-2H3;2*2-7H,1H3;2-7H,1H3,(H2,12,13,14);2-4H,1H3,(H2,9,10).

What are the key properties of 2-chloro-3-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzoxazol-3-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine?

2-chloro-3-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzoxazol-3-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine has a molecular weight of 2568.50 g/mol, XLogP of 37.32, 10 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzoxazol-3-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine is sourced from PubChem (CID 172987394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).