2-(methylamino)-3-(2-methylimidazol-1-yl)-2-phenylpropan-1-ol

C14H19N3O — CID 64811940

IUPAC2-(methylamino)-3-(2-methylimidazol-1-yl)-2-phenylpropan-1-ol
SMILESCNC(CO)(Cn1ccnc1C)c1ccccc1
InChIInChI=1S/C14H19N3O/c1-12-16-8-9-17(12)10-14(11-18,15-2)13-6-4-3-5-7-13/h3-9,15,18H,10-11H2,1-2H3
InChIKeyQRKONVYLZIMLOO-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.30
Rot. Bonds5

About 2-(methylamino)-3-(2-methylimidazol-1-yl)-2-phenylpropan-1-ol

2-(methylamino)-3-(2-methylimidazol-1-yl)-2-phenylpropan-1-ol (PubChem CID 64811940) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(methylamino)-3-(2-methylimidazol-1-yl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-3-(2-methylimidazol-1-yl)-2-phenylpropan-1-ol
PubChem CID64811940
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(methylamino)-3-(2-methylimidazol-1-yl)-2-phenylpropan-1-ol
SMILESCNC(CO)(Cn1ccnc1C)c1ccccc1
InChIInChI=1S/C14H19N3O/c1-12-16-8-9-17(12)10-14(11-18,15-2)13-6-4-3-5-7-13/h3-9,15,18H,10-11H2,1-2H3
InChIKeyQRKONVYLZIMLOO-UHFFFAOYSA-N
XLogP1.30
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695327
2-(methylamino)-4-(5-methylpyrazol-1-yl)-2-phenylbutan-1-ol
CID 116695380
3-indazol-1-yl-2-(methylamino)-2-phenylpropan-1-ol
CID 64808771
2-(methylamino)-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
CID 116695367
2-methyl-1-(2-methylimidazol-1-yl)propan-2-ol
CID 19434665
1-benzyl-2-methylimidazole
CID 158634472
2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol
CID 64796768
3-(N,4-dimethylanilino)-2-(methylamino)-2-phenylpropan-1-ol
CID 64792121
3-(N,2-dimethylanilino)-2-(methylamino)-2-phenylpropan-1-ol
CID 64791750
4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;phosphoric acid
CID 66846935
4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;hydrobromide
CID 74221652
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
CID 65322650

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(2-methylimidazol-1-yl)-2-phenylpropan-1-ol?
The IUPAC name of 2-(methylamino)-3-(2-methylimidazol-1-yl)-2-phenylpropan-1-ol (CID 64811940) is 2-(methylamino)-3-(2-methylimidazol-1-yl)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(methylamino)-3-(2-methylimidazol-1-yl)-2-phenylpropan-1-ol?
The canonical SMILES for 2-(methylamino)-3-(2-methylimidazol-1-yl)-2-phenylpropan-1-ol is CNC(CO)(Cn1ccnc1C)c1ccccc1.
What is the InChIKey of 2-(methylamino)-3-(2-methylimidazol-1-yl)-2-phenylpropan-1-ol?
The InChIKey is QRKONVYLZIMLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-12-16-8-9-17(12)10-14(11-18,15-2)13-6-4-3-5-7-13/h3-9,15,18H,10-11H2,1-2H3.
What are the key properties of 2-(methylamino)-3-(2-methylimidazol-1-yl)-2-phenylpropan-1-ol?
2-(methylamino)-3-(2-methylimidazol-1-yl)-2-phenylpropan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(2-methylimidazol-1-yl)-2-phenylpropan-1-ol is sourced from PubChem (CID 64811940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).