3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline

C14H12Cl2FN — CID 43096359

IUPAC3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C14H12Cl2FN/c1-9(10-3-2-4-11(17)7-10)18-12-5-6-13(15)14(16)8-12/h2-9,18H,1H3
InChIKeyJHJKDVUSJXQPCB-UHFFFAOYSA-N
MW284.16 g/mol
LogP5.31
Rot. Bonds3

About 3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline

3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline (PubChem CID 43096359) has the molecular formula C14H12Cl2FN and a molecular weight of 284.16 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
PubChem CID43096359
Molecular FormulaC14H12Cl2FN
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C14H12Cl2FN/c1-9(10-3-2-4-11(17)7-10)18-12-5-6-13(15)14(16)8-12/h2-9,18H,1H3
InChIKeyJHJKDVUSJXQPCB-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.16
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-3-[(dimethylamino)methyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]aniline
CID 100694884
2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
CID 60935297
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106
3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43096908
N-[1-(4-chlorophenyl)ethyl]-3-fluoroaniline
CID 43093632
N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline
CID 43110873
1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376525
3,4-dichloro-N-[1-(3-nitrophenyl)ethyl]aniline
CID 43080349

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline?
The IUPAC name of 3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline (CID 43096359) is 3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline is CC(Nc1ccc(Cl)c(Cl)c1)c1cccc(F)c1.
What is the InChIKey of 3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline?
The InChIKey is JHJKDVUSJXQPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN/c1-9(10-3-2-4-11(17)7-10)18-12-5-6-13(15)14(16)8-12/h2-9,18H,1H3.
What are the key properties of 3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline?
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline has a molecular weight of 284.16 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 43096359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).