(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine

C18H20ClN — CID 105044946

IUPAC(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine
SMILESCc1cc(C(N)c2ccc(C3CCC3)cc2)ccc1Cl
InChIInChI=1S/C18H20ClN/c1-12-11-16(9-10-17(12)19)18(20)15-7-5-14(6-8-15)13-3-2-4-13/h5-11,13,18H,2-4,20H2,1H3
InChIKeyAPPQWRZJXZEBEP-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.96
Rot. Bonds3

About (4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine

(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine (PubChem CID 105044946) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine
PubChem CID105044946
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine
SMILESCc1cc(C(N)c2ccc(C3CCC3)cc2)ccc1Cl
InChIInChI=1S/C18H20ClN/c1-12-11-16(9-10-17(12)19)18(20)15-7-5-14(6-8-15)13-3-2-4-13/h5-11,13,18H,2-4,20H2,1H3
InChIKeyAPPQWRZJXZEBEP-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)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

(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053710
(4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine
CID 107995408
(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol
CID 115836307
(4-chloro-3-methylphenyl)-phenylmethanamine
CID 71247470
(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine
CID 116505887
(4-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 116505877
3-[amino-(4-cyclobutylphenyl)methyl]-N,N-dimethylaniline
CID 105185231
1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine
CID 105053787
(4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053825
(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105044855
(4-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methanamine
CID 114877864
(4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990516

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine?
The IUPAC name of (4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine (CID 105044946) is (4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine.
What is the SMILES notation for (4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine?
The canonical SMILES for (4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine is Cc1cc(C(N)c2ccc(C3CCC3)cc2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine?
The InChIKey is APPQWRZJXZEBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-12-11-16(9-10-17(12)19)18(20)15-7-5-14(6-8-15)13-3-2-4-13/h5-11,13,18H,2-4,20H2,1H3.
What are the key properties of (4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine?
(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine has a molecular weight of 285.82 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine is sourced from PubChem (CID 105044946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).