2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine

C18H22N2O — CID 62088543

IUPAC2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine
SMILESCOC1CCCC1NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C18H22N2O/c1-21-17-12-7-11-15(17)20-18(14-8-3-2-4-9-14)16-10-5-6-13-19-16/h2-6,8-10,13,15,17-18,20H,7,11-12H2,1H3
InChIKeyFPHLQNAKPLCDOV-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.33
Rot. Bonds5

About 2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine

2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine (PubChem CID 62088543) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine
PubChem CID62088543
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine
SMILESCOC1CCCC1NC(c1ccccc1)c1ccccn1
InChIInChI=1S/C18H22N2O/c1-21-17-12-7-11-15(17)20-18(14-8-3-2-4-9-14)16-10-5-6-13-19-16/h2-6,8-10,13,15,17-18,20H,7,11-12H2,1H3
InChIKeyFPHLQNAKPLCDOV-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[furan-2-yl(phenyl)methyl]-2-methoxycyclohexan-1-amine
CID 60781921
N-(3,3-dimethyl-1-phenylbutyl)-2-methoxycyclopentan-1-amine
CID 62087135
N-[phenyl(pyridin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714310
methyl (3R)-3-[[(S)-phenyl(pyridin-2-yl)methyl]amino]pyrrolidine-1-carboxylate
CID 99781986
(1R)-1-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 81389751
N-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43768402
trans-(1R,3R)-3-N,3-N-dimethyl-1-N-[(R)-phenyl(pyridin-2-yl)methyl]cyclopentane-1,3-diamine
CID 129446491
2-[[[cyclohexyl(methyl)sulfamoyl]amino]-phenylmethyl]pyridine
CID 47023158
2-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 60921142
N-[1-(3-fluorophenyl)ethyl]-2-methoxycyclopentan-1-amine
CID 55033361
3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81401608
1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine
CID 115971963

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine (CID 62088543) is 2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine is COC1CCCC1NC(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is FPHLQNAKPLCDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-17-12-7-11-15(17)20-18(14-8-3-2-4-9-14)16-10-5-6-13-19-16/h2-6,8-10,13,15,17-18,20H,7,11-12H2,1H3.
What are the key properties of 2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine?
2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 282.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 62088543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).