(2-cyclobutylphenyl)-(4-methylphenyl)methanamine

C18H21N — CID 114602558

IUPAC(2-cyclobutylphenyl)-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccccc2C2CCC2)cc1
InChIInChI=1S/C18H21N/c1-13-9-11-15(12-10-13)18(19)17-8-3-2-7-16(17)14-5-4-6-14/h2-3,7-12,14,18H,4-6,19H2,1H3
InChIKeyXOPVPQLXILQNPK-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.31
Rot. Bonds3

About (2-cyclobutylphenyl)-(4-methylphenyl)methanamine

(2-cyclobutylphenyl)-(4-methylphenyl)methanamine (PubChem CID 114602558) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-(4-methylphenyl)methanamine
PubChem CID114602558
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(2-cyclobutylphenyl)-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccccc2C2CCC2)cc1
InChIInChI=1S/C18H21N/c1-13-9-11-15(12-10-13)18(19)17-8-3-2-7-16(17)14-5-4-6-14/h2-3,7-12,14,18H,4-6,19H2,1H3
InChIKeyXOPVPQLXILQNPK-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-cyclobutylphenyl)-(4-methylphenyl)methanamine 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

(2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 114602556
(2-cyclobutylphenyl)-pyridin-4-ylmethanamine
CID 114602569
(2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503001
(2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine
CID 105052284
(2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791150
(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine
CID 114604077
(2-cyclobutylphenyl)-cyclopropylmethanamine
CID 114602603
(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine
CID 114604111
(2-cyclobutylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 114603457
1-(2-cyclobutylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114602862
1-(2-cyclobutylphenyl)ethylhydrazine
CID 105201232
[(2-cyclobutylphenyl)-(3-methylphenyl)methyl]hydrazine
CID 105200669

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl)-(4-methylphenyl)methanamine?
The IUPAC name of (2-cyclobutylphenyl)-(4-methylphenyl)methanamine (CID 114602558) is (2-cyclobutylphenyl)-(4-methylphenyl)methanamine.
What is the SMILES notation for (2-cyclobutylphenyl)-(4-methylphenyl)methanamine?
The canonical SMILES for (2-cyclobutylphenyl)-(4-methylphenyl)methanamine is Cc1ccc(C(N)c2ccccc2C2CCC2)cc1.
What is the InChIKey of (2-cyclobutylphenyl)-(4-methylphenyl)methanamine?
The InChIKey is XOPVPQLXILQNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-9-11-15(12-10-13)18(19)17-8-3-2-7-16(17)14-5-4-6-14/h2-3,7-12,14,18H,4-6,19H2,1H3.
What are the key properties of (2-cyclobutylphenyl)-(4-methylphenyl)methanamine?
(2-cyclobutylphenyl)-(4-methylphenyl)methanamine has a molecular weight of 251.37 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl)-(4-methylphenyl)methanamine is sourced from PubChem (CID 114602558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).