3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine

C16H23N3 — CID 115580068

IUPAC3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine
SMILESCCC(C)C(c1ccccc1)C(N)c1nccn1C
InChIInChI=1S/C16H23N3/c1-4-12(2)14(13-8-6-5-7-9-13)15(17)16-18-10-11-19(16)3/h5-12,14-15H,4,17H2,1-3H3
InChIKeyMSOVOQJGQGCURG-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.25
Rot. Bonds5

About 3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine

3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine (PubChem CID 115580068) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine
PubChem CID115580068
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine
SMILESCCC(C)C(c1ccccc1)C(N)c1nccn1C
InChIInChI=1S/C16H23N3/c1-4-12(2)14(13-8-6-5-7-9-13)15(17)16-18-10-11-19(16)3/h5-12,14-15H,4,17H2,1-3H3
InChIKeyMSOVOQJGQGCURG-UHFFFAOYSA-N
XLogP3.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-(1-methylimidazol-2-yl)-2-phenylethanamine
CID 116773334
1-methyl-2-(1-phenylpropyl)imidazole
CID 67056293
triethyl-[(1-methylimidazol-2-yl)-phenylmethoxy]silane
CID 102165928
2-phenyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 114029101
1-(5-bromo-3-methyltriazol-4-yl)-3-methyl-2-phenylpentan-1-amine
CID 106465039
2-(1-methylimidazol-2-yl)-2-phenylacetonitrile
CID 116834667
1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine
CID 115828079
3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one
CID 113218827
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine
CID 63974966
1-methyl-2-(1-phenylbut-3-enyl)imidazole
CID 175452122
2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate
CID 110429248

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine?
The IUPAC name of 3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine (CID 115580068) is 3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine.
What is the SMILES notation for 3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine?
The canonical SMILES for 3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine is CCC(C)C(c1ccccc1)C(N)c1nccn1C.
What is the InChIKey of 3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine?
The InChIKey is MSOVOQJGQGCURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-12(2)14(13-8-6-5-7-9-13)15(17)16-18-10-11-19(16)3/h5-12,14-15H,4,17H2,1-3H3.
What are the key properties of 3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine?
3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine is sourced from PubChem (CID 115580068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).