1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine

C13H15ClFN3 — CID 65232432

IUPAC1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
SMILESCC(NCCc1cnc[nH]1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H15ClFN3/c1-9(12-3-2-10(15)6-13(12)14)17-5-4-11-7-16-8-18-11/h2-3,6-9,17H,4-5H2,1H3,(H,16,18)
InChIKeySVMXIZAGUMSNKG-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.10
Rot. Bonds5

About 1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine

1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine (PubChem CID 65232432) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
PubChem CID65232432
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
SMILESCC(NCCc1cnc[nH]1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H15ClFN3/c1-9(12-3-2-10(15)6-13(12)14)17-5-4-11-7-16-8-18-11/h2-3,6-9,17H,4-5H2,1H3,(H,16,18)
InChIKeySVMXIZAGUMSNKG-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65230546
1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60913072
1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 114058190
1-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine
CID 65230515
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867
1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62762989
1-(2,4-dichloro-5-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62999160
4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol
CID 64911537
1-(2-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine
CID 112831587
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780933
2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 62762095

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine (CID 65232432) is 1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine is CC(NCCc1cnc[nH]1)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
The InChIKey is SVMXIZAGUMSNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-9(12-3-2-10(15)6-13(12)14)17-5-4-11-7-16-8-18-11/h2-3,6-9,17H,4-5H2,1H3,(H,16,18).
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine has a molecular weight of 267.74 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 65232432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).