N-[(4-methoxy-3-pyridin-3-ylphenyl)methyl]cyclopentanamine

C18H22N2O — CID 39805313

IUPACN-[(4-methoxy-3-pyridin-3-ylphenyl)methyl]cyclopentanamine
SMILESCOc1ccc(CNC2CCCC2)cc1-c1cccnc1
InChIInChI=1S/C18H22N2O/c1-21-18-9-8-14(12-20-16-6-2-3-7-16)11-17(18)15-5-4-10-19-13-15/h4-5,8-11,13,16,20H,2-3,6-7,12H2,1H3
InChIKeyXABKWYWKNOHBQK-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.79
Rot. Bonds5

About N-[(4-methoxy-3-pyridin-3-ylphenyl)methyl]cyclopentanamine

N-[(4-methoxy-3-pyridin-3-ylphenyl)methyl]cyclopentanamine (PubChem CID 39805313) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(4-methoxy-3-pyridin-3-ylphenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(4-methoxy-3-pyridin-3-ylphenyl)methyl]cyclopentanamine
PubChem CID39805313
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(4-methoxy-3-pyridin-3-ylphenyl)methyl]cyclopentanamine
SMILESCOc1ccc(CNC2CCCC2)cc1-c1cccnc1
InChIInChI=1S/C18H22N2O/c1-21-18-9-8-14(12-20-16-6-2-3-7-16)11-17(18)15-5-4-10-19-13-15/h4-5,8-11,13,16,20H,2-3,6-7,12H2,1H3
InChIKeyXABKWYWKNOHBQK-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-pyridin-3-ylphenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(4-methoxy-3-pyridin-3-ylphenyl)methyl]cyclopentanamine (CID 39805313) is N-[(4-methoxy-3-pyridin-3-ylphenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(4-methoxy-3-pyridin-3-ylphenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(4-methoxy-3-pyridin-3-ylphenyl)methyl]cyclopentanamine is COc1ccc(CNC2CCCC2)cc1-c1cccnc1.
What is the InChIKey of N-[(4-methoxy-3-pyridin-3-ylphenyl)methyl]cyclopentanamine?
The InChIKey is XABKWYWKNOHBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-18-9-8-14(12-20-16-6-2-3-7-16)11-17(18)15-5-4-10-19-13-15/h4-5,8-11,13,16,20H,2-3,6-7,12H2,1H3.
What are the key properties of N-[(4-methoxy-3-pyridin-3-ylphenyl)methyl]cyclopentanamine?
N-[(4-methoxy-3-pyridin-3-ylphenyl)methyl]cyclopentanamine has a molecular weight of 282.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-pyridin-3-ylphenyl)methyl]cyclopentanamine is sourced from PubChem (CID 39805313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).