N-[(4-methoxyphenyl)methyl]cyclopropanamine

C11H15NO — CID 4721289

IUPACN-[(4-methoxyphenyl)methyl]cyclopropanamine
SMILESCOc1ccc(CNC2CC2)cc1
InChIInChI=1S/C11H15NO/c1-13-11-6-2-9(3-7-11)8-12-10-4-5-10/h2-3,6-7,10,12H,4-5,8H2,1H3
InChIKeyQVRKRVOSGOVKPC-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.95
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]cyclopropanamine

N-[(4-methoxyphenyl)methyl]cyclopropanamine (PubChem CID 4721289) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]cyclopropanamine
PubChem CID4721289
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-[(4-methoxyphenyl)methyl]cyclopropanamine
SMILESCOc1ccc(CNC2CC2)cc1
InChIInChI=1S/C11H15NO/c1-13-11-6-2-9(3-7-11)8-12-10-4-5-10/h2-3,6-7,10,12H,4-5,8H2,1H3
InChIKeyQVRKRVOSGOVKPC-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-methoxyphenyl)methyl]cyclopropanamine 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-[(4-methoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]cyclopropanamine (CID 4721289) is N-[(4-methoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]cyclopropanamine is COc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]cyclopropanamine?
The InChIKey is QVRKRVOSGOVKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-13-11-6-2-9(3-7-11)8-12-10-4-5-10/h2-3,6-7,10,12H,4-5,8H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]cyclopropanamine?
N-[(4-methoxyphenyl)methyl]cyclopropanamine has a molecular weight of 177.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 4721289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).