N-[(3-chloro-5-fluorophenyl)methyl]-1-(1H-imidazol-2-yl)propan-1-amine

C13H15ClFN3 — CID 114453172

IUPACN-[(3-chloro-5-fluorophenyl)methyl]-1-(1H-imidazol-2-yl)propan-1-amine
SMILESCCC(NCc1cc(F)cc(Cl)c1)c1ncc[nH]1
InChIInChI=1S/C13H15ClFN3/c1-2-12(13-16-3-4-17-13)18-8-9-5-10(14)7-11(15)6-9/h3-7,12,18H,2,8H2,1H3,(H,16,17)
InChIKeyGPIBEJLCFAZAAV-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.44
Rot. Bonds5

About N-[(3-chloro-5-fluorophenyl)methyl]-1-(1H-imidazol-2-yl)propan-1-amine

N-[(3-chloro-5-fluorophenyl)methyl]-1-(1H-imidazol-2-yl)propan-1-amine (PubChem CID 114453172) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)methyl]-1-(1H-imidazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-5-fluorophenyl)methyl]-1-(1H-imidazol-2-yl)propan-1-amine
PubChem CID114453172
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC NameN-[(3-chloro-5-fluorophenyl)methyl]-1-(1H-imidazol-2-yl)propan-1-amine
SMILESCCC(NCc1cc(F)cc(Cl)c1)c1ncc[nH]1
InChIInChI=1S/C13H15ClFN3/c1-2-12(13-16-3-4-17-13)18-8-9-5-10(14)7-11(15)6-9/h3-7,12,18H,2,8H2,1H3,(H,16,17)
InChIKeyGPIBEJLCFAZAAV-UHFFFAOYSA-N
XLogP3.44
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3-chloro-5-fluorophenyl)methyl]-1-(1H-imidazol-2-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

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-1-(1H-imidazol-2-yl)propan-1-amine?
The IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-1-(1H-imidazol-2-yl)propan-1-amine (CID 114453172) is N-[(3-chloro-5-fluorophenyl)methyl]-1-(1H-imidazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)methyl]-1-(1H-imidazol-2-yl)propan-1-amine?
The canonical SMILES for N-[(3-chloro-5-fluorophenyl)methyl]-1-(1H-imidazol-2-yl)propan-1-amine is CCC(NCc1cc(F)cc(Cl)c1)c1ncc[nH]1.
What is the InChIKey of N-[(3-chloro-5-fluorophenyl)methyl]-1-(1H-imidazol-2-yl)propan-1-amine?
The InChIKey is GPIBEJLCFAZAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-2-12(13-16-3-4-17-13)18-8-9-5-10(14)7-11(15)6-9/h3-7,12,18H,2,8H2,1H3,(H,16,17).
What are the key properties of N-[(3-chloro-5-fluorophenyl)methyl]-1-(1H-imidazol-2-yl)propan-1-amine?
N-[(3-chloro-5-fluorophenyl)methyl]-1-(1H-imidazol-2-yl)propan-1-amine has a molecular weight of 267.74 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-fluorophenyl)methyl]-1-(1H-imidazol-2-yl)propan-1-amine is sourced from PubChem (CID 114453172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).