4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline

C14H13Cl2N — CID 43107320

IUPAC4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2N/c1-10(11-2-4-12(15)5-3-11)17-14-8-6-13(16)7-9-14/h2-10,17H,1H3
InChIKeyRKJPGQJISYCRMZ-UHFFFAOYSA-N
MW266.17 g/mol
LogP5.17
Rot. Bonds3

About 4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline

4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline (PubChem CID 43107320) has the molecular formula C14H13Cl2N and a molecular weight of 266.17 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
PubChem CID43107320
Molecular FormulaC14H13Cl2N
Molecular Weight266.17 g/mol
Exact Mass265.04
IUPAC Name4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2N/c1-10(11-2-4-12(15)5-3-11)17-14-8-6-13(16)7-9-14/h2-10,17H,1H3
InChIKeyRKJPGQJISYCRMZ-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.17
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43104527
3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43096908
4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43098857
2-[4-[1-(4-chlorophenyl)ethylamino]phenyl]acetonitrile
CID 43722208
N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43106541
N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide
CID 43720632
4-chloro-N-(1-thiophen-3-ylethyl)aniline
CID 62091709
4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43093665
N-[1-(4-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114837677
N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43096931
N-[1-(4-chlorophenyl)ethyl]-4-(1,3-oxazol-5-yl)aniline
CID 60943069
5-[1-(4-chlorophenyl)ethylamino]-2-fluorobenzonitrile
CID 62318191

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline?
The IUPAC name of 4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline (CID 43107320) is 4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline.
What is the SMILES notation for 4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline?
The canonical SMILES for 4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline is CC(Nc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline?
The InChIKey is RKJPGQJISYCRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N/c1-10(11-2-4-12(15)5-3-11)17-14-8-6-13(16)7-9-14/h2-10,17H,1H3.
What are the key properties of 4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline?
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline has a molecular weight of 266.17 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline is sourced from PubChem (CID 43107320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).