3-(2-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine

C18H22N2O — CID 43634103

IUPAC3-(2-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine
SMILESCOc1ccccc1C1CC(NC(C)c2ccncc2)C1
InChIInChI=1S/C18H22N2O/c1-13(14-7-9-19-10-8-14)20-16-11-15(12-16)17-5-3-4-6-18(17)21-2/h3-10,13,15-16,20H,11-12H2,1-2H3
InChIKeyDGFMIPDMUZRFIZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.69
Rot. Bonds5

About 3-(2-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine

3-(2-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine (PubChem CID 43634103) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine
PubChem CID43634103
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(2-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine
SMILESCOc1ccccc1C1CC(NC(C)c2ccncc2)C1
InChIInChI=1S/C18H22N2O/c1-13(14-7-9-19-10-8-14)20-16-11-15(12-16)17-5-3-4-6-18(17)21-2/h3-10,13,15-16,20H,11-12H2,1-2H3
InChIKeyDGFMIPDMUZRFIZ-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

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 63987431
3-(3-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine
CID 43634110
methyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate
CID 60780597
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
2-methoxy-N-[3-(2-methoxyphenyl)cyclobutyl]pyridin-3-amine
CID 43721955
N-ethyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanamide
CID 43635745
3-[[3-(2-methoxyphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol
CID 106158739
3-(2-methoxyphenyl)-N-[1-(oxolan-3-yl)ethyl]cyclobutan-1-amine
CID 115919997
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81405488
4-methyl-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301993

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine (CID 43634103) is 3-(2-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine is COc1ccccc1C1CC(NC(C)c2ccncc2)C1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine?
The InChIKey is DGFMIPDMUZRFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(14-7-9-19-10-8-14)20-16-11-15(12-16)17-5-3-4-6-18(17)21-2/h3-10,13,15-16,20H,11-12H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine?
3-(2-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-(2-methoxyphenyl)-N-(1-pyridin-4-ylethyl)cyclobutan-1-amine is sourced from PubChem (CID 43634103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).