2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine

C16H23N3 — CID 102969714

IUPAC2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cncn1C(C)Cc1ccccc1
InChIInChI=1S/C16H23N3/c1-12(2)16(17)15-10-18-11-19(15)13(3)9-14-7-5-4-6-8-14/h4-8,10-13,16H,9,17H2,1-3H3
InChIKeyPOPFZFXYKMYQQK-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.34
Rot. Bonds5

About 2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine

2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine (PubChem CID 102969714) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine
PubChem CID102969714
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cncn1C(C)Cc1ccccc1
InChIInChI=1S/C16H23N3/c1-12(2)16(17)15-10-18-11-19(15)13(3)9-14-7-5-4-6-8-14/h4-8,10-13,16H,9,17H2,1-3H3
InChIKeyPOPFZFXYKMYQQK-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine 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

(1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104941515
(1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104943198
(1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104942509
2-methyl-1-(3-pent-4-yn-2-ylimidazol-4-yl)propan-1-amine
CID 102969862
(1R)-1-[3-(4-methylsulfanylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104943877
1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969894
2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine
CID 102969584
2-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162644
(1R)-1-[3-(3-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104942446
1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969585
(1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine
CID 104943181
2-[5-[amino(phenyl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine
CID 114704930

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine (CID 102969714) is 2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine is CC(C)C(N)c1cncn1C(C)Cc1ccccc1.
What is the InChIKey of 2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine?
The InChIKey is POPFZFXYKMYQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)16(17)15-10-18-11-19(15)13(3)9-14-7-5-4-6-8-14/h4-8,10-13,16H,9,17H2,1-3H3.
What are the key properties of 2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine?
2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 102969714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).