(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine

C18H21NO — CID 114602513

IUPAC(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc(C3CCC3)c2)cc1
InChIInChI=1S/C18H21NO/c1-20-17-10-8-14(9-11-17)18(19)16-7-3-6-15(12-16)13-4-2-5-13/h3,6-13,18H,2,4-5,19H2,1H3
InChIKeyYHZUOGVGXXTSQR-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.01
Rot. Bonds4

About (3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine

(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine (PubChem CID 114602513) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
PubChem CID114602513
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc(C3CCC3)c2)cc1
InChIInChI=1S/C18H21NO/c1-20-17-10-8-14(9-11-17)18(19)16-7-3-6-15(12-16)13-4-2-5-13/h3,6-13,18H,2,4-5,19H2,1H3
InChIKeyYHZUOGVGXXTSQR-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-cyclobutylphenyl)-(4-methoxyphenyl)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-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 116505877
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanol
CID 114601153
1-(3-cyclobutylphenyl)-2-(4-methoxyphenyl)ethanol
CID 114602177
(4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053825
(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053710
(3-cyclopropylphenyl)-phenylmethanamine;hydrochloride
CID 170919041
(3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine
CID 102923950
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
(3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 114603326
(3-cyclobutylphenyl)-thiophen-3-ylmethanamine
CID 114602570
3-[amino-(4-cyclobutylphenyl)methyl]-N,N-dimethylaniline
CID 105185231
1-(3-cyclobutylphenyl)-2-methylbutan-1-amine
CID 114603023

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine?
The IUPAC name of (3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine (CID 114602513) is (3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine.
What is the SMILES notation for (3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine?
The canonical SMILES for (3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine is COc1ccc(C(N)c2cccc(C3CCC3)c2)cc1.
What is the InChIKey of (3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine?
The InChIKey is YHZUOGVGXXTSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-20-17-10-8-14(9-11-17)18(19)16-7-3-6-15(12-16)13-4-2-5-13/h3,6-13,18H,2,4-5,19H2,1H3.
What are the key properties of (3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine?
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine has a molecular weight of 267.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 114602513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).