3-(4-methylphenyl)adamantan-1-amine

C17H23N — CID 70833566

IUPAC3-(4-methylphenyl)adamantan-1-amine
SMILESCc1ccc(C23CC4CC(CC(N)(C4)C2)C3)cc1
InChIInChI=1S/C17H23N/c1-12-2-4-15(5-3-12)16-7-13-6-14(8-16)10-17(18,9-13)11-16/h2-5,13-14H,6-11,18H2,1H3
InChIKeyDGLXTDSPVBJMKG-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.54
Rot. Bonds1

About 3-(4-methylphenyl)adamantan-1-amine

3-(4-methylphenyl)adamantan-1-amine (PubChem CID 70833566) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-(4-methylphenyl)adamantan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)adamantan-1-amine
PubChem CID70833566
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name3-(4-methylphenyl)adamantan-1-amine
SMILESCc1ccc(C23CC4CC(CC(N)(C4)C2)C3)cc1
InChIInChI=1S/C17H23N/c1-12-2-4-15(5-3-12)16-7-13-6-14(8-16)10-17(18,9-13)11-16/h2-5,13-14H,6-11,18H2,1H3
InChIKeyDGLXTDSPVBJMKG-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-methylphenyl)adamantan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)adamantan-1-amine?
The IUPAC name of 3-(4-methylphenyl)adamantan-1-amine (CID 70833566) is 3-(4-methylphenyl)adamantan-1-amine.
What is the SMILES notation for 3-(4-methylphenyl)adamantan-1-amine?
The canonical SMILES for 3-(4-methylphenyl)adamantan-1-amine is Cc1ccc(C23CC4CC(CC(N)(C4)C2)C3)cc1.
What is the InChIKey of 3-(4-methylphenyl)adamantan-1-amine?
The InChIKey is DGLXTDSPVBJMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-12-2-4-15(5-3-12)16-7-13-6-14(8-16)10-17(18,9-13)11-16/h2-5,13-14H,6-11,18H2,1H3.
What are the key properties of 3-(4-methylphenyl)adamantan-1-amine?
3-(4-methylphenyl)adamantan-1-amine has a molecular weight of 241.38 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)adamantan-1-amine is sourced from PubChem (CID 70833566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).