(4-ethoxyphenyl)methanamine

C9H13NO — CID 808423

IUPAC(4-ethoxyphenyl)methanamine
SMILESCCOc1ccc(CN)cc1
InChIInChI=1S/C9H13NO/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2,7,10H2,1H3
InChIKeyUSTCFIRCUNVNNM-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.54
Rot. Bonds3

About (4-ethoxyphenyl)methanamine

(4-ethoxyphenyl)methanamine (PubChem CID 808423) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (4-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-ethoxyphenyl)methanamine
PubChem CID808423
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(4-ethoxyphenyl)methanamine
SMILESCCOc1ccc(CN)cc1
InChIInChI=1S/C9H13NO/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2,7,10H2,1H3
InChIKeyUSTCFIRCUNVNNM-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-ethoxyphenyl)methanamine 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 (4-ethoxyphenyl)methanamine?
The IUPAC name of (4-ethoxyphenyl)methanamine (CID 808423) is (4-ethoxyphenyl)methanamine.
What is the SMILES notation for (4-ethoxyphenyl)methanamine?
The canonical SMILES for (4-ethoxyphenyl)methanamine is CCOc1ccc(CN)cc1.
What is the InChIKey of (4-ethoxyphenyl)methanamine?
The InChIKey is USTCFIRCUNVNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2,7,10H2,1H3.
What are the key properties of (4-ethoxyphenyl)methanamine?
(4-ethoxyphenyl)methanamine has a molecular weight of 151.21 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)methanamine is sourced from PubChem (CID 808423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).