4-methyl-7-(2-methylphenyl)naphthalen-2-amine

C18H17N — CID 167553516

IUPAC4-methyl-7-(2-methylphenyl)naphthalen-2-amine
SMILESCc1ccccc1-c1ccc2c(C)cc(N)cc2c1
InChIInChI=1S/C18H17N/c1-12-5-3-4-6-17(12)14-7-8-18-13(2)9-16(19)11-15(18)10-14/h3-11H,19H2,1-2H3
InChIKeyVZEUPXQAKVXRDC-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.71
Rot. Bonds1

About 4-methyl-7-(2-methylphenyl)naphthalen-2-amine

4-methyl-7-(2-methylphenyl)naphthalen-2-amine (PubChem CID 167553516) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-methyl-7-(2-methylphenyl)naphthalen-2-amine.

Molecular Properties

Compound Name4-methyl-7-(2-methylphenyl)naphthalen-2-amine
PubChem CID167553516
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name4-methyl-7-(2-methylphenyl)naphthalen-2-amine
SMILESCc1ccccc1-c1ccc2c(C)cc(N)cc2c1
InChIInChI=1S/C18H17N/c1-12-5-3-4-6-17(12)14-7-8-18-13(2)9-16(19)11-15(18)10-14/h3-11H,19H2,1-2H3
InChIKeyVZEUPXQAKVXRDC-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-7-(2-methylphenyl)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

4-methyl-7-(3-methylphenyl)naphthalen-2-amine
CID 167271661
ethane;4-methylnaphthalen-2-amine
CID 144829259
6-(2-methylphenyl)naphthalen-1-ol
CID 71167346
4-methyl-7-(5-methyl-3-pyridinyl)naphthalen-2-amine
CID 167699010
3-[2-(2-methylphenyl)phenyl]aniline
CID 174293524
2-fluoro-5-(2-methylphenyl)aniline
CID 82076476
4-methyl-7-nitrosonaphthalen-2-amine
CID 163520250
1,3-dimethyl-5-(2-methylphenyl)benzene
CID 12639839
1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene
CID 59609351
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(3-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;2-methyl-6-(2-methylphenyl)naphthalene;2-methyl-6-(3-methylphenyl)naphthalene;2-methyl-6-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
CID 157271950
4-(2-methylphenyl)-1,2-diphenylbenzene
CID 59171693

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(2-methylphenyl)naphthalen-2-amine?
The IUPAC name of 4-methyl-7-(2-methylphenyl)naphthalen-2-amine (CID 167553516) is 4-methyl-7-(2-methylphenyl)naphthalen-2-amine.
What is the SMILES notation for 4-methyl-7-(2-methylphenyl)naphthalen-2-amine?
The canonical SMILES for 4-methyl-7-(2-methylphenyl)naphthalen-2-amine is Cc1ccccc1-c1ccc2c(C)cc(N)cc2c1.
What is the InChIKey of 4-methyl-7-(2-methylphenyl)naphthalen-2-amine?
The InChIKey is VZEUPXQAKVXRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-12-5-3-4-6-17(12)14-7-8-18-13(2)9-16(19)11-15(18)10-14/h3-11H,19H2,1-2H3.
What are the key properties of 4-methyl-7-(2-methylphenyl)naphthalen-2-amine?
4-methyl-7-(2-methylphenyl)naphthalen-2-amine has a molecular weight of 247.34 g/mol, XLogP of 4.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(2-methylphenyl)naphthalen-2-amine is sourced from PubChem (CID 167553516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).