1-(2-methylnaphthalen-1-yl)naphthalen-2-amine

C21H17N — CID 18736750

IUPAC1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
SMILESCc1ccc2ccccc2c1-c1c(N)ccc2ccccc12
InChIInChI=1S/C21H17N/c1-14-10-11-15-6-2-4-8-17(15)20(14)21-18-9-5-3-7-16(18)12-13-19(21)22/h2-13H,22H2,1H3
InChIKeyQIDDOECWNUEZDC-UHFFFAOYSA-N
MW283.37 g/mol
LogP5.55
Rot. Bonds1

About 1-(2-methylnaphthalen-1-yl)naphthalen-2-amine

1-(2-methylnaphthalen-1-yl)naphthalen-2-amine (PubChem CID 18736750) has the molecular formula C21H17N and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2-methylnaphthalen-1-yl)naphthalen-2-amine.

Molecular Properties

Compound Name1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
PubChem CID18736750
Molecular FormulaC21H17N
Molecular Weight283.37 g/mol
Exact Mass283.14
IUPAC Name1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
SMILESCc1ccc2ccccc2c1-c1c(N)ccc2ccccc12
InChIInChI=1S/C21H17N/c1-14-10-11-15-6-2-4-8-17(15)20(14)21-18-9-5-3-7-16(18)12-13-19(21)22/h2-13H,22H2,1H3
InChIKeyQIDDOECWNUEZDC-UHFFFAOYSA-N
XLogP5.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-methylnaphthalen-1-yl)naphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride
CID 139641730
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine
CID 11266515
1-(2-aminonaphthalen-1-yl)-3,4,5,6-tetramethylnaphthalen-2-amine
CID 175331689
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
1-(2-aminophenyl)naphthalen-2-amine
CID 11424829
1-(2-methylnaphthalen-1-yl)-2-phenylnaphthalene
CID 11739441
1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol
CID 162122233
2-ethyl-4-(2-methylnaphthalen-1-yl)aniline
CID 81432895
1-(3-methylphenyl)naphthalen-2-amine
CID 141043466
5-methyl-2-(2-methylnaphthalen-1-yl)aniline
CID 82767076
2-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]ethanamine
CID 101269623

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylnaphthalen-1-yl)naphthalen-2-amine?
The IUPAC name of 1-(2-methylnaphthalen-1-yl)naphthalen-2-amine (CID 18736750) is 1-(2-methylnaphthalen-1-yl)naphthalen-2-amine.
What is the SMILES notation for 1-(2-methylnaphthalen-1-yl)naphthalen-2-amine?
The canonical SMILES for 1-(2-methylnaphthalen-1-yl)naphthalen-2-amine is Cc1ccc2ccccc2c1-c1c(N)ccc2ccccc12.
What is the InChIKey of 1-(2-methylnaphthalen-1-yl)naphthalen-2-amine?
The InChIKey is QIDDOECWNUEZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N/c1-14-10-11-15-6-2-4-8-17(15)20(14)21-18-9-5-3-7-16(18)12-13-19(21)22/h2-13H,22H2,1H3.
What are the key properties of 1-(2-methylnaphthalen-1-yl)naphthalen-2-amine?
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine has a molecular weight of 283.37 g/mol, XLogP of 5.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylnaphthalen-1-yl)naphthalen-2-amine is sourced from PubChem (CID 18736750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).