2-[(2-methyl-1H-imidazol-5-yl)methylamino]-1-phenylethanol

C13H17N3O — CID 62743070

IUPAC2-[(2-methyl-1H-imidazol-5-yl)methylamino]-1-phenylethanol
SMILESCc1ncc(CNCC(O)c2ccccc2)[nH]1
InChIInChI=1S/C13H17N3O/c1-10-15-8-12(16-10)7-14-9-13(17)11-5-3-2-4-6-11/h2-6,8,13-14,17H,7,9H2,1H3,(H,15,16)
InChIKeyJWXVAEDABALHMG-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.54
Rot. Bonds5

About 2-[(2-methyl-1H-imidazol-5-yl)methylamino]-1-phenylethanol

2-[(2-methyl-1H-imidazol-5-yl)methylamino]-1-phenylethanol (PubChem CID 62743070) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[(2-methyl-1H-imidazol-5-yl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(2-methyl-1H-imidazol-5-yl)methylamino]-1-phenylethanol
PubChem CID62743070
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[(2-methyl-1H-imidazol-5-yl)methylamino]-1-phenylethanol
SMILESCc1ncc(CNCC(O)c2ccccc2)[nH]1
InChIInChI=1S/C13H17N3O/c1-10-15-8-12(16-10)7-14-9-13(17)11-5-3-2-4-6-11/h2-6,8,13-14,17H,7,9H2,1H3,(H,15,16)
InChIKeyJWXVAEDABALHMG-UHFFFAOYSA-N
XLogP1.54
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904711
(1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol
CID 7248561
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol
CID 70462318
2-ethoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 115655678
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine
CID 62743984
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763931
1-phenyl-2-(quinolin-8-ylmethylamino)ethanol
CID 43394632
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol
CID 107230249
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol
CID 43499835
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1H-imidazol-5-yl)methylamino]-1-phenylethanol?
The IUPAC name of 2-[(2-methyl-1H-imidazol-5-yl)methylamino]-1-phenylethanol (CID 62743070) is 2-[(2-methyl-1H-imidazol-5-yl)methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[(2-methyl-1H-imidazol-5-yl)methylamino]-1-phenylethanol?
The canonical SMILES for 2-[(2-methyl-1H-imidazol-5-yl)methylamino]-1-phenylethanol is Cc1ncc(CNCC(O)c2ccccc2)[nH]1.
What is the InChIKey of 2-[(2-methyl-1H-imidazol-5-yl)methylamino]-1-phenylethanol?
The InChIKey is JWXVAEDABALHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-15-8-12(16-10)7-14-9-13(17)11-5-3-2-4-6-11/h2-6,8,13-14,17H,7,9H2,1H3,(H,15,16).
What are the key properties of 2-[(2-methyl-1H-imidazol-5-yl)methylamino]-1-phenylethanol?
2-[(2-methyl-1H-imidazol-5-yl)methylamino]-1-phenylethanol has a molecular weight of 231.30 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1H-imidazol-5-yl)methylamino]-1-phenylethanol is sourced from PubChem (CID 62743070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).