N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]cyclopentanamine

C18H22N2O — CID 56718800

IUPACN-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]cyclopentanamine
SMILESCOc1ccc(-c2ccncc2)cc1CNC1CCCC1
InChIInChI=1S/C18H22N2O/c1-21-18-7-6-15(14-8-10-19-11-9-14)12-16(18)13-20-17-4-2-3-5-17/h6-12,17,20H,2-5,13H2,1H3
InChIKeyAQDNEZFJYBMBGW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.79
Rot. Bonds5

About N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]cyclopentanamine

N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]cyclopentanamine (PubChem CID 56718800) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]cyclopentanamine
PubChem CID56718800
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]cyclopentanamine
SMILESCOc1ccc(-c2ccncc2)cc1CNC1CCCC1
InChIInChI=1S/C18H22N2O/c1-21-18-7-6-15(14-8-10-19-11-9-14)12-16(18)13-20-17-4-2-3-5-17/h6-12,17,20H,2-5,13H2,1H3
InChIKeyAQDNEZFJYBMBGW-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-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]cyclopentanamine (CID 56718800) is N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]cyclopentanamine is COc1ccc(-c2ccncc2)cc1CNC1CCCC1.
What is the InChIKey of N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]cyclopentanamine?
The InChIKey is AQDNEZFJYBMBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-18-7-6-15(14-8-10-19-11-9-14)12-16(18)13-20-17-4-2-3-5-17/h6-12,17,20H,2-5,13H2,1H3.
What are the key properties of N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]cyclopentanamine?
N-[(2-methoxy-5-pyridin-4-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-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]cyclopentanamine is sourced from PubChem (CID 56718800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).