4-(4-phenylphenyl)pentan-2-amine

C17H21N — CID 65456648

IUPAC4-(4-phenylphenyl)pentan-2-amine
SMILESCC(N)CC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-13(12-14(2)18)15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,13-14H,12,18H2,1-2H3
InChIKeyATFCFVYKXIKBRB-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.19
Rot. Bonds4

About 4-(4-phenylphenyl)pentan-2-amine

4-(4-phenylphenyl)pentan-2-amine (PubChem CID 65456648) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-(4-phenylphenyl)pentan-2-amine.

Molecular Properties

Compound Name4-(4-phenylphenyl)pentan-2-amine
PubChem CID65456648
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name4-(4-phenylphenyl)pentan-2-amine
SMILESCC(N)CC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-13(12-14(2)18)15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,13-14H,12,18H2,1-2H3
InChIKeyATFCFVYKXIKBRB-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-phenylphenyl)pentan-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)pentan-2-amine?
The IUPAC name of 4-(4-phenylphenyl)pentan-2-amine (CID 65456648) is 4-(4-phenylphenyl)pentan-2-amine.
What is the SMILES notation for 4-(4-phenylphenyl)pentan-2-amine?
The canonical SMILES for 4-(4-phenylphenyl)pentan-2-amine is CC(N)CC(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(4-phenylphenyl)pentan-2-amine?
The InChIKey is ATFCFVYKXIKBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-13(12-14(2)18)15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,13-14H,12,18H2,1-2H3.
What are the key properties of 4-(4-phenylphenyl)pentan-2-amine?
4-(4-phenylphenyl)pentan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)pentan-2-amine is sourced from PubChem (CID 65456648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).