(2R)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-3-phenylpropan-1-ol

C14H19N3O — CID 107860714

IUPAC(2R)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-3-phenylpropan-1-ol
SMILESCc1[nH]cnc1CN[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C14H19N3O/c1-11-14(17-10-16-11)8-15-13(9-18)7-12-5-3-2-4-6-12/h2-6,10,13,15,18H,7-9H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyABQDCWRULHTRBZ-CYBMUJFWSA-N
MW245.33 g/mol
LogP1.41
Rot. Bonds6

About (2R)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-3-phenylpropan-1-ol

(2R)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-3-phenylpropan-1-ol (PubChem CID 107860714) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (2R)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-3-phenylpropan-1-ol
PubChem CID107860714
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(2R)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-3-phenylpropan-1-ol
SMILESCc1[nH]cnc1CN[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C14H19N3O/c1-11-14(17-10-16-11)8-15-13(9-18)7-12-5-3-2-4-6-12/h2-6,10,13,15,18H,7-9H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyABQDCWRULHTRBZ-CYBMUJFWSA-N
XLogP1.41
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-3-phenylpropan-1-ol 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

(2S)-2-(1H-imidazol-5-ylmethylamino)-3-phenylpropan-1-ol
CID 102610097
(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215
N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine
CID 46784144
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 102610247
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 63260892
(2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 104922812
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol
CID 63260593
3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propan-1-ol
CID 63261586
2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167666
(2R)-2-[(3-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 104922908
(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
CID 102610095

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-3-phenylpropan-1-ol (CID 107860714) is (2R)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-3-phenylpropan-1-ol is Cc1[nH]cnc1CN[C@@H](CO)Cc1ccccc1.
What is the InChIKey of (2R)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is ABQDCWRULHTRBZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-14(17-10-16-11)8-15-13(9-18)7-12-5-3-2-4-6-12/h2-6,10,13,15,18H,7-9H2,1H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-3-phenylpropan-1-ol?
(2R)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 107860714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).