3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine

C15H21N3O — CID 28993976

IUPAC3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine
SMILESCOc1ccc([C@@H](C)NCCCn2ccnc2)cc1
InChIInChI=1S/C15H21N3O/c1-13(14-4-6-15(19-2)7-5-14)17-8-3-10-18-11-9-16-12-18/h4-7,9,11-13,17H,3,8,10H2,1-2H3/t13-/m1/s1
InChIKeyMLLGTPAXZUAKSL-CYBMUJFWSA-N
MW259.35 g/mol
LogP2.63
Rot. Bonds7

About 3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine

3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 28993976) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine
PubChem CID28993976
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine
SMILESCOc1ccc([C@@H](C)NCCCn2ccnc2)cc1
InChIInChI=1S/C15H21N3O/c1-13(14-4-6-15(19-2)7-5-14)17-8-3-10-18-11-9-16-12-18/h4-7,9,11-13,17H,3,8,10H2,1-2H3/t13-/m1/s1
InChIKeyMLLGTPAXZUAKSL-CYBMUJFWSA-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'}

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Related Compounds

3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43126793
3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 81370417
3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43773811
N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine;dihydrochloride
CID 19429517
3-imidazol-1-yl-N-[1-(2-methoxy-4-methylphenyl)ethyl]propan-1-amine
CID 43773831
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 61069437
(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
CID 94210912
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
1-[4-[(1S)-1-(3-imidazol-1-ylpropylamino)ethyl]phenyl]pyrrolidin-2-one
CID 97228964
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
3-[1-(3-imidazol-1-ylpropylamino)ethyl]benzonitrile
CID 43773848

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine (CID 28993976) is 3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine is COc1ccc([C@@H](C)NCCCn2ccnc2)cc1.
What is the InChIKey of 3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is MLLGTPAXZUAKSL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O/c1-13(14-4-6-15(19-2)7-5-14)17-8-3-10-18-11-9-16-12-18/h4-7,9,11-13,17H,3,8,10H2,1-2H3/t13-/m1/s1.
What are the key properties of 3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine?
3-imidazol-1-yl-N-[(1R)-1-(4-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-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 28993976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).