[4-(2-methylpropyl)phenyl]-phenylmethanamine

C17H21N — CID 43198176

IUPAC[4-(2-methylpropyl)phenyl]-phenylmethanamine
SMILESCC(C)Cc1ccc(C(N)c2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-13(2)12-14-8-10-16(11-9-14)17(18)15-6-4-3-5-7-15/h3-11,13,17H,12,18H2,1-2H3
InChIKeyZDHIISXGHBRPGM-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.93
Rot. Bonds4

About [4-(2-methylpropyl)phenyl]-phenylmethanamine

[4-(2-methylpropyl)phenyl]-phenylmethanamine (PubChem CID 43198176) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is [4-(2-methylpropyl)phenyl]-phenylmethanamine.

Molecular Properties

Compound Name[4-(2-methylpropyl)phenyl]-phenylmethanamine
PubChem CID43198176
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name[4-(2-methylpropyl)phenyl]-phenylmethanamine
SMILESCC(C)Cc1ccc(C(N)c2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-13(2)12-14-8-10-16(11-9-14)17(18)15-6-4-3-5-7-15/h3-11,13,17H,12,18H2,1-2H3
InChIKeyZDHIISXGHBRPGM-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [4-(2-methylpropyl)phenyl]-phenylmethanamine 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-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
[4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine
CID 43198863
1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene
CID 19010746
ethane;2-methylpropylbenzene
CID 162200929
1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879
(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543839
1-[4-(2-methylpropyl)phenyl]-2-phenoxyethanamine
CID 43095754
(S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride
CID 175772829
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43093450
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
[4-(2-methylpropyl)phenyl]-(2,4,6-trimethylphenyl)methanamine
CID 43106145

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)phenyl]-phenylmethanamine?
The IUPAC name of [4-(2-methylpropyl)phenyl]-phenylmethanamine (CID 43198176) is [4-(2-methylpropyl)phenyl]-phenylmethanamine.
What is the SMILES notation for [4-(2-methylpropyl)phenyl]-phenylmethanamine?
The canonical SMILES for [4-(2-methylpropyl)phenyl]-phenylmethanamine is CC(C)Cc1ccc(C(N)c2ccccc2)cc1.
What is the InChIKey of [4-(2-methylpropyl)phenyl]-phenylmethanamine?
The InChIKey is ZDHIISXGHBRPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-13(2)12-14-8-10-16(11-9-14)17(18)15-6-4-3-5-7-15/h3-11,13,17H,12,18H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)phenyl]-phenylmethanamine?
[4-(2-methylpropyl)phenyl]-phenylmethanamine has a molecular weight of 239.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)phenyl]-phenylmethanamine is sourced from PubChem (CID 43198176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).