3-(3-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine

C18H22N2O — CID 43634110

IUPAC3-(3-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine
SMILESCOc1cccc(C2CC(NC(C)c3ccncc3)C2)c1
InChIInChI=1S/C18H22N2O/c1-13(14-6-8-19-9-7-14)20-17-10-16(11-17)15-4-3-5-18(12-15)21-2/h3-9,12-13,16-17,20H,10-11H2,1-2H3
InChIKeyKZQFGRPWUYVOMJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.69
Rot. Bonds5

About 3-(3-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine

3-(3-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine (PubChem CID 43634110) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine
PubChem CID43634110
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(3-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine
SMILESCOc1cccc(C2CC(NC(C)c3ccncc3)C2)c1
InChIInChI=1S/C18H22N2O/c1-13(14-6-8-19-9-7-14)20-17-10-16(11-17)15-4-3-5-18(12-15)21-2/h3-9,12-13,16-17,20H,10-11H2,1-2H3
InChIKeyKZQFGRPWUYVOMJ-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine 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

N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 60945450
3-(2-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine
CID 43634103
3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 103902325
3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 81350272
N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 64569258
3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 103562196
1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine
CID 81406194
3-phenyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine
CID 43632220
7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510289
3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81369233
3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine
CID 106209304
6-methoxy-N-[(1R)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81395323

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine (CID 43634110) is 3-(3-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine is COc1cccc(C2CC(NC(C)c3ccncc3)C2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine?
The InChIKey is KZQFGRPWUYVOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(14-6-8-19-9-7-14)20-17-10-16(11-17)15-4-3-5-18(12-15)21-2/h3-9,12-13,16-17,20H,10-11H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine?
3-(3-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine has a molecular weight of 282.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine is sourced from PubChem (CID 43634110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).