N-[(3-methoxyphenyl)methyl]cyclopentanamine

C13H19NO — CID 775303

IUPACN-[(3-methoxyphenyl)methyl]cyclopentanamine
SMILESCOc1cccc(CNC2CCCC2)c1
InChIInChI=1S/C13H19NO/c1-15-13-8-4-5-11(9-13)10-14-12-6-2-3-7-12/h4-5,8-9,12,14H,2-3,6-7,10H2,1H3
InChIKeyLGUBODKVEXFVAU-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.73
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]cyclopentanamine

N-[(3-methoxyphenyl)methyl]cyclopentanamine (PubChem CID 775303) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]cyclopentanamine
PubChem CID775303
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[(3-methoxyphenyl)methyl]cyclopentanamine
SMILESCOc1cccc(CNC2CCCC2)c1
InChIInChI=1S/C13H19NO/c1-15-13-8-4-5-11(9-13)10-14-12-6-2-3-7-12/h4-5,8-9,12,14H,2-3,6-7,10H2,1H3
InChIKeyLGUBODKVEXFVAU-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-methoxyphenyl)methyl]cyclopentanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]cyclopentanamine (CID 775303) is N-[(3-methoxyphenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]cyclopentanamine is COc1cccc(CNC2CCCC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]cyclopentanamine?
The InChIKey is LGUBODKVEXFVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-15-13-8-4-5-11(9-13)10-14-12-6-2-3-7-12/h4-5,8-9,12,14H,2-3,6-7,10H2,1H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]cyclopentanamine?
N-[(3-methoxyphenyl)methyl]cyclopentanamine has a molecular weight of 205.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]cyclopentanamine is sourced from PubChem (CID 775303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).