[3-[[1-(2-methylimidazol-1-yl)propan-2-ylamino]methyl]phenyl]methanol

C15H21N3O — CID 131891967

IUPAC[3-[[1-(2-methylimidazol-1-yl)propan-2-ylamino]methyl]phenyl]methanol
SMILESCc1nccn1CC(C)NCc1cccc(CO)c1
InChIInChI=1S/C15H21N3O/c1-12(10-18-7-6-16-13(18)2)17-9-14-4-3-5-15(8-14)11-19/h3-8,12,17,19H,9-11H2,1-2H3
InChIKeyGJTVCIWCBGZKFV-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.86
Rot. Bonds6

About [3-[[1-(2-methylimidazol-1-yl)propan-2-ylamino]methyl]phenyl]methanol

[3-[[1-(2-methylimidazol-1-yl)propan-2-ylamino]methyl]phenyl]methanol (PubChem CID 131891967) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [3-[[1-(2-methylimidazol-1-yl)propan-2-ylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[1-(2-methylimidazol-1-yl)propan-2-ylamino]methyl]phenyl]methanol
PubChem CID131891967
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[3-[[1-(2-methylimidazol-1-yl)propan-2-ylamino]methyl]phenyl]methanol
SMILESCc1nccn1CC(C)NCc1cccc(CO)c1
InChIInChI=1S/C15H21N3O/c1-12(10-18-7-6-16-13(18)2)17-9-14-4-3-5-15(8-14)11-19/h3-8,12,17,19H,9-11H2,1-2H3
InChIKeyGJTVCIWCBGZKFV-UHFFFAOYSA-N
XLogP1.86
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(2-ethylimidazol-1-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine
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[3-[[(1-methylimidazol-2-yl)amino]methyl]phenyl]methanol
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2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol
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(2S)-2-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-5-phenylpentanamide
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[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 70515805
[3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
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2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol
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CID 114986461

Frequently Asked Questions

What is the IUPAC name of [3-[[1-(2-methylimidazol-1-yl)propan-2-ylamino]methyl]phenyl]methanol?
The IUPAC name of [3-[[1-(2-methylimidazol-1-yl)propan-2-ylamino]methyl]phenyl]methanol (CID 131891967) is [3-[[1-(2-methylimidazol-1-yl)propan-2-ylamino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[1-(2-methylimidazol-1-yl)propan-2-ylamino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[1-(2-methylimidazol-1-yl)propan-2-ylamino]methyl]phenyl]methanol is Cc1nccn1CC(C)NCc1cccc(CO)c1.
What is the InChIKey of [3-[[1-(2-methylimidazol-1-yl)propan-2-ylamino]methyl]phenyl]methanol?
The InChIKey is GJTVCIWCBGZKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(10-18-7-6-16-13(18)2)17-9-14-4-3-5-15(8-14)11-19/h3-8,12,17,19H,9-11H2,1-2H3.
What are the key properties of [3-[[1-(2-methylimidazol-1-yl)propan-2-ylamino]methyl]phenyl]methanol?
[3-[[1-(2-methylimidazol-1-yl)propan-2-ylamino]methyl]phenyl]methanol has a molecular weight of 259.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-(2-methylimidazol-1-yl)propan-2-ylamino]methyl]phenyl]methanol is sourced from PubChem (CID 131891967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).