2,4-dichloro-N-(1-phenylethyl)aniline

C14H13Cl2N — CID 43082155

IUPAC2,4-dichloro-N-(1-phenylethyl)aniline
SMILESCC(Nc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C14H13Cl2N/c1-10(11-5-3-2-4-6-11)17-14-8-7-12(15)9-13(14)16/h2-10,17H,1H3
InChIKeyFYEVMMKMIDKAMN-UHFFFAOYSA-N
MW266.17 g/mol
LogP5.17
Rot. Bonds3

About 2,4-dichloro-N-(1-phenylethyl)aniline

2,4-dichloro-N-(1-phenylethyl)aniline (PubChem CID 43082155) has the molecular formula C14H13Cl2N and a molecular weight of 266.17 g/mol. Its IUPAC name is 2,4-dichloro-N-(1-phenylethyl)aniline.

Molecular Properties

Compound Name2,4-dichloro-N-(1-phenylethyl)aniline
PubChem CID43082155
Molecular FormulaC14H13Cl2N
Molecular Weight266.17 g/mol
Exact Mass265.04
IUPAC Name2,4-dichloro-N-(1-phenylethyl)aniline
SMILESCC(Nc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C14H13Cl2N/c1-10(11-5-3-2-4-6-11)17-14-8-7-12(15)9-13(14)16/h2-10,17H,1H3
InChIKeyFYEVMMKMIDKAMN-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

2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 43758710
2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43192035
2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43097452
2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
CID 43081262
2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
CID 43758692
2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43104033
3-chloro-4-(1-phenylethylamino)benzoic acid
CID 63088121
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43347291
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline
CID 43758735
2,4-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43103375
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-dichloroaniline
CID 43082359
5-chloro-2-nitro-N-[(1R)-1-phenylethyl]aniline
CID 7282605

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1-phenylethyl)aniline?
The IUPAC name of 2,4-dichloro-N-(1-phenylethyl)aniline (CID 43082155) is 2,4-dichloro-N-(1-phenylethyl)aniline.
What is the SMILES notation for 2,4-dichloro-N-(1-phenylethyl)aniline?
The canonical SMILES for 2,4-dichloro-N-(1-phenylethyl)aniline is CC(Nc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 2,4-dichloro-N-(1-phenylethyl)aniline?
The InChIKey is FYEVMMKMIDKAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N/c1-10(11-5-3-2-4-6-11)17-14-8-7-12(15)9-13(14)16/h2-10,17H,1H3.
What are the key properties of 2,4-dichloro-N-(1-phenylethyl)aniline?
2,4-dichloro-N-(1-phenylethyl)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 2,4-dichloro-N-(1-phenylethyl)aniline is sourced from PubChem (CID 43082155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).