1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine

C18H21NO — CID 79979679

IUPAC1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
SMILESCOc1ccccc1CNCc1ccc(C2CC2)cc1
InChIInChI=1S/C18H21NO/c1-20-18-5-3-2-4-17(18)13-19-12-14-6-8-15(9-7-14)16-10-11-16/h2-9,16,19H,10-13H2,1H3
InChIKeyZJXFZOSTGWKOMY-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.86
Rot. Bonds6

About 1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine

1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine (PubChem CID 79979679) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
PubChem CID79979679
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
SMILESCOc1ccccc1CNCc1ccc(C2CC2)cc1
InChIInChI=1S/C18H21NO/c1-20-18-5-3-2-4-17(18)13-19-12-14-6-8-15(9-7-14)16-10-11-16/h2-9,16,19H,10-13H2,1H3
InChIKeyZJXFZOSTGWKOMY-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]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

1-(2-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 79889709
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17292771
1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 738542
N,N-diethyl-4-[[(2-methoxyphenyl)methylamino]methyl]aniline;dihydrochloride
CID 17208220
N'-[(2-methoxyphenyl)methyl]-N-[[4-[4-[4-[[6-[(2-methoxyphenyl)methylamino]hexylamino]methyl]phenyl]phenyl]phenyl]methyl]hexane-1,6-diamine
CID 10930604
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208300
1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine
CID 79979256
1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine
CID 174192701
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
N-[(2-cyclopropylphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 79889960
2-chloro-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]ethanamine
CID 65029818
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17207976

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine (CID 79979679) is 1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine is COc1ccccc1CNCc1ccc(C2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine?
The InChIKey is ZJXFZOSTGWKOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-20-18-5-3-2-4-17(18)13-19-12-14-6-8-15(9-7-14)16-10-11-16/h2-9,16,19H,10-13H2,1H3.
What are the key properties of 1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine?
1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine has a molecular weight of 267.37 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 79979679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).