(1S)-N-methoxy-1-phenylethanamine

C9H13NO — CID 11073598

IUPAC(1S)-N-methoxy-1-phenylethanamine
SMILESCON[C@@H](C)c1ccccc1
InChIInChI=1S/C9H13NO/c1-8(10-11-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-/m0/s1
InChIKeyKRKUIQZXRHNRRY-QMMMGPOBSA-N
MW151.21 g/mol
LogP1.90
Rot. Bonds3

About (1S)-N-methoxy-1-phenylethanamine

(1S)-N-methoxy-1-phenylethanamine (PubChem CID 11073598) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (1S)-N-methoxy-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-methoxy-1-phenylethanamine
PubChem CID11073598
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(1S)-N-methoxy-1-phenylethanamine
SMILESCON[C@@H](C)c1ccccc1
InChIInChI=1S/C9H13NO/c1-8(10-11-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-/m0/s1
InChIKeyKRKUIQZXRHNRRY-QMMMGPOBSA-N
XLogP1.90
TPSA21.26 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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1S)-N-methoxy-1-phenylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

Amphetamine
CID 3007
Dextroamphetamine
CID 5826
1-Phenethylamine
CID 7408
(-)-Amphetamine
CID 32893
1-Phenethylamine, (-)-
CID 75818
1-Phenethylamine, (+)-
CID 643189
Benzhydrylamine
CID 7036
1-Methyl-3-phenylpropylamine
CID 31160
Amphetamine Hydrochloride
CID 92939
(+-)-p-Fluoroamphetamine
CID 9986
2-Methylbenzylamine
CID 6993
1-(4-Methylphenyl)ethylamine
CID 577386

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methoxy-1-phenylethanamine?
The IUPAC name of (1S)-N-methoxy-1-phenylethanamine (CID 11073598) is (1S)-N-methoxy-1-phenylethanamine.
What is the SMILES notation for (1S)-N-methoxy-1-phenylethanamine?
The canonical SMILES for (1S)-N-methoxy-1-phenylethanamine is CON[C@@H](C)c1ccccc1.
What is the InChIKey of (1S)-N-methoxy-1-phenylethanamine?
The InChIKey is KRKUIQZXRHNRRY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NO/c1-8(10-11-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-N-methoxy-1-phenylethanamine?
(1S)-N-methoxy-1-phenylethanamine has a molecular weight of 151.21 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methoxy-1-phenylethanamine is sourced from PubChem (CID 11073598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).