1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine

C15H16ClFN2 — CID 60913072

IUPAC1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
SMILESCC(NCCc1cccnc1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H16ClFN2/c1-11(14-5-4-13(17)9-15(14)16)19-8-6-12-3-2-7-18-10-12/h2-5,7,9-11,19H,6,8H2,1H3
InChIKeyYIUOAYMCQBPDLL-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.77
Rot. Bonds5

About 1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine

1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine (PubChem CID 60913072) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
PubChem CID60913072
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
SMILESCC(NCCc1cccnc1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H16ClFN2/c1-11(14-5-4-13(17)9-15(14)16)19-8-6-12-3-2-7-18-10-12/h2-5,7,9-11,19H,6,8H2,1H3
InChIKeyYIUOAYMCQBPDLL-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichloro-5-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60913070
1-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60895907
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43768143
1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65232432
N-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 60913402
1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709037
1-(2-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine
CID 112831587
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867
N-ethyl-1-[4-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 63265153
1-(2-chloro-4-fluorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]ethanamine
CID 115901861
4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol
CID 64911537
N-[1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 63066755

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine (CID 60913072) is 1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine is CC(NCCc1cccnc1)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine?
The InChIKey is YIUOAYMCQBPDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-11(14-5-4-13(17)9-15(14)16)19-8-6-12-3-2-7-18-10-12/h2-5,7,9-11,19H,6,8H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine?
1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine has a molecular weight of 278.76 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine is sourced from PubChem (CID 60913072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).