N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline

C14H12ClF2N — CID 43106541

IUPACN-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline
SMILESCC(Nc1cc(F)cc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClF2N/c1-9(10-2-4-11(15)5-3-10)18-14-7-12(16)6-13(17)8-14/h2-9,18H,1H3
InChIKeyZECJVDLQWASQBL-UHFFFAOYSA-N
MW267.71 g/mol
LogP4.79
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline

N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline (PubChem CID 43106541) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline
PubChem CID43106541
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline
SMILESCC(Nc1cc(F)cc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClF2N/c1-9(10-2-4-11(15)5-3-10)18-14-7-12(16)6-13(17)8-14/h2-9,18H,1H3
InChIKeyZECJVDLQWASQBL-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3-fluoroaniline
CID 43093632
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43081131
(1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine
CID 81352116
3,5-difluoro-N-(1-phenylethyl)aniline
CID 43195985
N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786
N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline
CID 43100376
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline
CID 107364137
N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline
CID 43108323
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
CID 107363878
3-chloro-5-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 107363886
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 43381921

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline (CID 43106541) is N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline is CC(Nc1cc(F)cc(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline?
The InChIKey is ZECJVDLQWASQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-9(10-2-4-11(15)5-3-10)18-14-7-12(16)6-13(17)8-14/h2-9,18H,1H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline?
N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline has a molecular weight of 267.71 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline is sourced from PubChem (CID 43106541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).