3-(1H-imidazol-2-yl)-N,N-dimethyl-3-phenylpropan-1-amine

C14H19N3 — CID 13019465

IUPAC3-(1H-imidazol-2-yl)-N,N-dimethyl-3-phenylpropan-1-amine
SMILESCN(C)CCC(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C14H19N3/c1-17(2)11-8-13(14-15-9-10-16-14)12-6-4-3-5-7-12/h3-7,9-10,13H,8,11H2,1-2H3,(H,15,16)
InChIKeyXPYGFEIUAHHFQR-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.49
Rot. Bonds5

About 3-(1H-imidazol-2-yl)-N,N-dimethyl-3-phenylpropan-1-amine

3-(1H-imidazol-2-yl)-N,N-dimethyl-3-phenylpropan-1-amine (PubChem CID 13019465) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-N,N-dimethyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-N,N-dimethyl-3-phenylpropan-1-amine
PubChem CID13019465
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-(1H-imidazol-2-yl)-N,N-dimethyl-3-phenylpropan-1-amine
SMILESCN(C)CCC(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C14H19N3/c1-17(2)11-8-13(14-15-9-10-16-14)12-6-4-3-5-7-12/h3-7,9-10,13H,8,11H2,1-2H3,(H,15,16)
InChIKeyXPYGFEIUAHHFQR-UHFFFAOYSA-N
XLogP2.49
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethoxy-1-phenylethyl)-1H-imidazole
CID 57296965
(1R)-1-(1H-imidazol-2-yl)-N-methyl-1-phenylmethanamine
CID 124512474
(3R)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
CID 6328079
2-(2,6-difluorophenyl)-2-(1H-imidazol-2-yl)ethanol
CID 68677003
2-(1H-imidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 116834796
[1H-imidazol-2-yl(phenyl)methyl]hydrazine
CID 105251994
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
1-(1H-imidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 90852365
2-(1H-imidazol-2-yl)-2-(2-methylphenyl)ethanamine
CID 116834897
(3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
CID 125488138
N,N-dimethyl-1-phenylmethanamine;2-methyl-1H-imidazole
CID 19938699
N-[1H-imidazol-2-yl(phenyl)methyl]-2-methylsulfanylethanamine
CID 86804118

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-N,N-dimethyl-3-phenylpropan-1-amine?
The IUPAC name of 3-(1H-imidazol-2-yl)-N,N-dimethyl-3-phenylpropan-1-amine (CID 13019465) is 3-(1H-imidazol-2-yl)-N,N-dimethyl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-N,N-dimethyl-3-phenylpropan-1-amine?
The canonical SMILES for 3-(1H-imidazol-2-yl)-N,N-dimethyl-3-phenylpropan-1-amine is CN(C)CCC(c1ccccc1)c1ncc[nH]1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-N,N-dimethyl-3-phenylpropan-1-amine?
The InChIKey is XPYGFEIUAHHFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-17(2)11-8-13(14-15-9-10-16-14)12-6-4-3-5-7-12/h3-7,9-10,13H,8,11H2,1-2H3,(H,15,16).
What are the key properties of 3-(1H-imidazol-2-yl)-N,N-dimethyl-3-phenylpropan-1-amine?
3-(1H-imidazol-2-yl)-N,N-dimethyl-3-phenylpropan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-N,N-dimethyl-3-phenylpropan-1-amine is sourced from PubChem (CID 13019465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).