N-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine

C16H23N3 — CID 67833845

IUPACN-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(CC(C)NCCCc2ncc[nH]2)cc1
InChIInChI=1S/C16H23N3/c1-13-5-7-15(8-6-13)12-14(2)17-9-3-4-16-18-10-11-19-16/h5-8,10-11,14,17H,3-4,9,12H2,1-2H3,(H,18,19)
InChIKeyDKYSAZQGVYRJCX-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.87
Rot. Bonds7

About N-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine

N-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine (PubChem CID 67833845) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine
PubChem CID67833845
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(CC(C)NCCCc2ncc[nH]2)cc1
InChIInChI=1S/C16H23N3/c1-13-5-7-15(8-6-13)12-14(2)17-9-3-4-16-18-10-11-19-16/h5-8,10-11,14,17H,3-4,9,12H2,1-2H3,(H,18,19)
InChIKeyDKYSAZQGVYRJCX-UHFFFAOYSA-N
XLogP2.87
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-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

3-(1H-imidazol-2-yl)-N-[1-(4-methylphenyl)propan-2-yl]propanamide
CID 67833765
2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide
CID 106312735
N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine
CID 115705142
5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine
CID 110174705
ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine
CID 142295385
2-chloro-5-[3-[1-(4-methylphenyl)propan-2-ylamino]propyl]aniline
CID 167555712
4-[1-(4-methylphenyl)propan-2-ylamino]butan-2-ol
CID 115720232
2-[2-bromo-2-(4-methylphenyl)ethyl]-1H-imidazole
CID 61096176
N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine
CID 155119456
1-(2-ethylphenyl)-N-[3-(1H-imidazol-2-yl)propyl]propan-1-amine
CID 67750233
(1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine
CID 167885469
3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine
CID 114810323

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine?
The IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine (CID 67833845) is N-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for N-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine?
The canonical SMILES for N-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine is Cc1ccc(CC(C)NCCCc2ncc[nH]2)cc1.
What is the InChIKey of N-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine?
The InChIKey is DKYSAZQGVYRJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13-5-7-15(8-6-13)12-14(2)17-9-3-4-16-18-10-11-19-16/h5-8,10-11,14,17H,3-4,9,12H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine?
N-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 67833845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).