4-methyl-7-(3-methylphenyl)naphthalen-2-amine

C18H17N — CID 167271661

IUPAC4-methyl-7-(3-methylphenyl)naphthalen-2-amine
SMILESCc1cccc(-c2ccc3c(C)cc(N)cc3c2)c1
InChIInChI=1S/C18H17N/c1-12-4-3-5-14(8-12)15-6-7-18-13(2)9-17(19)11-16(18)10-15/h3-11H,19H2,1-2H3
InChIKeyCXQGXPQTKMHBLG-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.71
Rot. Bonds1

About 4-methyl-7-(3-methylphenyl)naphthalen-2-amine

4-methyl-7-(3-methylphenyl)naphthalen-2-amine (PubChem CID 167271661) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-methyl-7-(3-methylphenyl)naphthalen-2-amine.

Molecular Properties

Compound Name4-methyl-7-(3-methylphenyl)naphthalen-2-amine
PubChem CID167271661
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name4-methyl-7-(3-methylphenyl)naphthalen-2-amine
SMILESCc1cccc(-c2ccc3c(C)cc(N)cc3c2)c1
InChIInChI=1S/C18H17N/c1-12-4-3-5-14(8-12)15-6-7-18-13(2)9-17(19)11-16(18)10-15/h3-11H,19H2,1-2H3
InChIKeyCXQGXPQTKMHBLG-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'}

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Related Compounds

4-methyl-7-(5-methyl-3-pyridinyl)naphthalen-2-amine
CID 167699010
4-methyl-7-(2-methylphenyl)naphthalen-2-amine
CID 167553516
1,2-dimethyl-6-(3-methylphenyl)naphthalene
CID 58239617
ethane;4-methylnaphthalen-2-amine
CID 144829259
ethane;2-(3-methylphenyl)triphenylene
CID 90881937
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
2-(3-methylphenyl)triphenylene;2-methyltriphenylene
CID 160536482
6-methyl-3-(3-methylphenyl)isoquinolin-1-amine
CID 24957048

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(3-methylphenyl)naphthalen-2-amine?
The IUPAC name of 4-methyl-7-(3-methylphenyl)naphthalen-2-amine (CID 167271661) is 4-methyl-7-(3-methylphenyl)naphthalen-2-amine.
What is the SMILES notation for 4-methyl-7-(3-methylphenyl)naphthalen-2-amine?
The canonical SMILES for 4-methyl-7-(3-methylphenyl)naphthalen-2-amine is Cc1cccc(-c2ccc3c(C)cc(N)cc3c2)c1.
What is the InChIKey of 4-methyl-7-(3-methylphenyl)naphthalen-2-amine?
The InChIKey is CXQGXPQTKMHBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-12-4-3-5-14(8-12)15-6-7-18-13(2)9-17(19)11-16(18)10-15/h3-11H,19H2,1-2H3.
What are the key properties of 4-methyl-7-(3-methylphenyl)naphthalen-2-amine?
4-methyl-7-(3-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-(3-methylphenyl)naphthalen-2-amine is sourced from PubChem (CID 167271661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).