2-[2-(2-methylimidazol-1-yl)ethylamino]-3-phenylpropan-1-ol

C15H21N3O — CID 63261116

IUPAC2-[2-(2-methylimidazol-1-yl)ethylamino]-3-phenylpropan-1-ol
SMILESCc1nccn1CCNC(CO)Cc1ccccc1
InChIInChI=1S/C15H21N3O/c1-13-16-7-9-18(13)10-8-17-15(12-19)11-14-5-3-2-4-6-14/h2-7,9,15,17,19H,8,10-12H2,1H3
InChIKeyNLESYEVEVSWEKF-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.38
Rot. Bonds7

About 2-[2-(2-methylimidazol-1-yl)ethylamino]-3-phenylpropan-1-ol

2-[2-(2-methylimidazol-1-yl)ethylamino]-3-phenylpropan-1-ol (PubChem CID 63261116) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[2-(2-methylimidazol-1-yl)ethylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(2-methylimidazol-1-yl)ethylamino]-3-phenylpropan-1-ol
PubChem CID63261116
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[2-(2-methylimidazol-1-yl)ethylamino]-3-phenylpropan-1-ol
SMILESCc1nccn1CCNC(CO)Cc1ccccc1
InChIInChI=1S/C15H21N3O/c1-13-16-7-9-18(13)10-8-17-15(12-19)11-14-5-3-2-4-6-14/h2-7,9,15,17,19H,8,10-12H2,1H3
InChIKeyNLESYEVEVSWEKF-UHFFFAOYSA-N
XLogP1.38
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol
CID 61493788
(2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 104922812
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
2-[2-(4-methylpiperazin-1-yl)ethylamino]-3-phenylpropan-1-ol
CID 82889725
(1R)-1-(2-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81380913
(1R)-1-(2-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81379316
2-(2-ethoxyethylamino)-3-phenylpropan-1-ol
CID 63261508
N-[2-(2-methylimidazol-1-yl)ethyl]octan-4-amine
CID 103780084
1-benzyl-2-methylimidazole
CID 158634472
(2R)-2-(2-morpholin-4-ylethylamino)-3-phenylpropan-1-ol
CID 66961586
(1R)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81372752
(1S)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81371719

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylimidazol-1-yl)ethylamino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[2-(2-methylimidazol-1-yl)ethylamino]-3-phenylpropan-1-ol (CID 63261116) is 2-[2-(2-methylimidazol-1-yl)ethylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[2-(2-methylimidazol-1-yl)ethylamino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[2-(2-methylimidazol-1-yl)ethylamino]-3-phenylpropan-1-ol is Cc1nccn1CCNC(CO)Cc1ccccc1.
What is the InChIKey of 2-[2-(2-methylimidazol-1-yl)ethylamino]-3-phenylpropan-1-ol?
The InChIKey is NLESYEVEVSWEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-13-16-7-9-18(13)10-8-17-15(12-19)11-14-5-3-2-4-6-14/h2-7,9,15,17,19H,8,10-12H2,1H3.
What are the key properties of 2-[2-(2-methylimidazol-1-yl)ethylamino]-3-phenylpropan-1-ol?
2-[2-(2-methylimidazol-1-yl)ethylamino]-3-phenylpropan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylimidazol-1-yl)ethylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 63261116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).