N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine

C13H15ClFN3 — CID 54958468

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
SMILESCC(Cn1ccnc1)NCc1ccc(F)cc1Cl
InChIInChI=1S/C13H15ClFN3/c1-10(8-18-5-4-16-9-18)17-7-11-2-3-12(15)6-13(11)14/h2-6,9-10,17H,7-8H2,1H3
InChIKeyGCINJRPMUGZXGB-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.85
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine

N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine (PubChem CID 54958468) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
PubChem CID54958468
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
SMILESCC(Cn1ccnc1)NCc1ccc(F)cc1Cl
InChIInChI=1S/C13H15ClFN3/c1-10(8-18-5-4-16-9-18)17-7-11-2-3-12(15)6-13(11)14/h2-6,9-10,17H,7-8H2,1H3
InChIKeyGCINJRPMUGZXGB-UHFFFAOYSA-N
XLogP2.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 115652117
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzene-1,3-diol
CID 43749681
3-fluoro-4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzonitrile
CID 61482521
N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 43749470
4-fluoro-3-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzoic acid
CID 107452763
N-[(2-chloro-6-methoxyphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 104815886
(2R)-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-imidazol-1-ylpropan-2-amine
CID 95218898
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
N-[(2-chloro-5-fluorophenyl)methyl]-2-imidazol-1-ylethanamine
CID 102615563
(2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 38061827
N-[[2-(1,1-difluoroethyl)phenyl]methyl]-1-imidazol-1-ylpropan-2-amine
CID 166268986
(2S)-N-[(3-bromo-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 51683999

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine (CID 54958468) is N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine is CC(Cn1ccnc1)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine?
The InChIKey is GCINJRPMUGZXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-10(8-18-5-4-16-9-18)17-7-11-2-3-12(15)6-13(11)14/h2-6,9-10,17H,7-8H2,1H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine?
N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine has a molecular weight of 267.74 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine is sourced from PubChem (CID 54958468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).