3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline

C13H12ClFN2 — CID 43122983

IUPAC3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline
SMILESCC(Nc1cccc(Cl)c1F)c1ccncc1
InChIInChI=1S/C13H12ClFN2/c1-9(10-5-7-16-8-6-10)17-12-4-2-3-11(14)13(12)15/h2-9,17H,1H3
InChIKeyMTHZSTNWHPFHCN-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.05
Rot. Bonds3

About 3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline

3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline (PubChem CID 43122983) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline
PubChem CID43122983
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline
SMILESCC(Nc1cccc(Cl)c1F)c1ccncc1
InChIInChI=1S/C13H12ClFN2/c1-9(10-5-7-16-8-6-10)17-12-4-2-3-11(14)13(12)15/h2-9,17H,1H3
InChIKeyMTHZSTNWHPFHCN-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43085619
2-chloro-N-(1-pyridin-4-ylethyl)aniline
CID 43194712
3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoroaniline
CID 43772875
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline
CID 43122894
2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline
CID 43192512
2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 66251849
2,4,5-trichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43096623
3-chloro-2-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
CID 43524029
2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43192035
3-chloro-2-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 43122944
2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 104726127
N-[1-(3-chloro-4-fluorophenyl)ethyl]isoquinolin-5-amine
CID 43681264

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline?
The IUPAC name of 3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline (CID 43122983) is 3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline?
The canonical SMILES for 3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline is CC(Nc1cccc(Cl)c1F)c1ccncc1.
What is the InChIKey of 3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline?
The InChIKey is MTHZSTNWHPFHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-9(10-5-7-16-8-6-10)17-12-4-2-3-11(14)13(12)15/h2-9,17H,1H3.
What are the key properties of 3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline?
3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline has a molecular weight of 250.70 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 43122983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).