N-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine

C13H17N3O — CID 113235607

IUPACN-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine
SMILESCOCC(NCc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C13H17N3O/c1-17-10-12(11-5-3-2-4-6-11)16-9-13-14-7-8-15-13/h2-8,12,16H,9-10H2,1H3,(H,14,15)
InChIKeyGOGCYTJLJBQYPV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.89
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine

N-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine (PubChem CID 113235607) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine
PubChem CID113235607
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine
SMILESCOCC(NCc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C13H17N3O/c1-17-10-12(11-5-3-2-4-6-11)16-9-13-14-7-8-15-13/h2-8,12,16H,9-10H2,1H3,(H,14,15)
InChIKeyGOGCYTJLJBQYPV-UHFFFAOYSA-N
XLogP1.89
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-imidazol-2-ylmethyl)-2-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

2-(2,3-dihydro-4-(2-methoxyethyl)-1H-inden-1-yl)-1H-imidazole
CID 44571843
1H-imidazol-2-yl(phenyl)methanol
CID 3407115
(4-fluorophenyl)(1H-imidazol-2-yl)methanamine
CID 67419097
4-(1H-imidazol-2-ylmethyl)-2-(3-phenylpropyl)morpholine
CID 45210057
2-(2,2-Diphenylethyl)-4-(1H-imidazol-2-ylmethyl)morpholine
CID 45245567
(1H-imidazol-4-ylmethyl)(2-methoxyethyl)(4-methylbenzyl)amine
CID 46986817
(1H-Imidazol-2-ylmethyl)(2-methoxyethyl)[(2E)-3-phenylprop-2-EN-1-YL]amine
CID 46989340
2-[(1H-imidazol-2-ylmethyl)(2-methylbenzyl)amino]ethanol
CID 50980087
N-[(1-benzylimidazol-2-yl)methyl]-3-ethylmorpholine-4-carboxamide
CID 71867713
(4S)-3-[(1-isopropyl-1H-imidazol-2-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 72862923
2-(1H-imidazol-2-yl)-1-phenylethan-1-amine hydrochloride
CID 17400265
((4-fluorophenyl)(1H-imidazol-2-yl)methyl)(methyl)amine
CID 80284350

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine (CID 113235607) is N-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine is COCC(NCc1ncc[nH]1)c1ccccc1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine?
The InChIKey is GOGCYTJLJBQYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-17-10-12(11-5-3-2-4-6-11)16-9-13-14-7-8-15-13/h2-8,12,16H,9-10H2,1H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine?
N-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine is sourced from PubChem (CID 113235607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).