3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine

C15H21N3O — CID 43126793

IUPAC3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
SMILESCOc1cccc(C(C)NCCCn2ccnc2)c1
InChIInChI=1S/C15H21N3O/c1-13(14-5-3-6-15(11-14)19-2)17-7-4-9-18-10-8-16-12-18/h3,5-6,8,10-13,17H,4,7,9H2,1-2H3
InChIKeyFUEMEKDXPRXVLD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.63
Rot. Bonds7

About 3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine

3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 43126793) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
PubChem CID43126793
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
SMILESCOc1cccc(C(C)NCCCn2ccnc2)c1
InChIInChI=1S/C15H21N3O/c1-13(14-5-3-6-15(11-14)19-2)17-7-4-9-18-10-8-16-12-18/h3,5-6,8,10-13,17H,4,7,9H2,1-2H3
InChIKeyFUEMEKDXPRXVLD-UHFFFAOYSA-N
XLogP2.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine 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

3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 28993976
3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43773811
3-[1-(3-imidazol-1-ylpropylamino)ethyl]benzonitrile
CID 43773848
3-[1-(3-imidazol-1-ylpropylamino)ethyl]benzenesulfonamide
CID 43773780
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657976
3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17155515
2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine
CID 16641645
2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol
CID 81133447
1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61323866
(1R)-1-(3-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81373333
1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine
CID 60883624
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine
CID 30052666

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine (CID 43126793) is 3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine is COc1cccc(C(C)NCCCn2ccnc2)c1.
What is the InChIKey of 3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is FUEMEKDXPRXVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-13(14-5-3-6-15(11-14)19-2)17-7-4-9-18-10-8-16-12-18/h3,5-6,8,10-13,17H,4,7,9H2,1-2H3.
What are the key properties of 3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine?
3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43126793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).