3,4-dichloro-N-(1-phenylethyl)aniline

C14H13Cl2N — CID 43082168

IUPAC3,4-dichloro-N-(1-phenylethyl)aniline
SMILESCC(Nc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H13Cl2N/c1-10(11-5-3-2-4-6-11)17-12-7-8-13(15)14(16)9-12/h2-10,17H,1H3
InChIKeyAQCPGQRQJRNLPS-UHFFFAOYSA-N
MW266.17 g/mol
LogP5.17
Rot. Bonds3

About 3,4-dichloro-N-(1-phenylethyl)aniline

3,4-dichloro-N-(1-phenylethyl)aniline (PubChem CID 43082168) has the molecular formula C14H13Cl2N and a molecular weight of 266.17 g/mol. Its IUPAC name is 3,4-dichloro-N-(1-phenylethyl)aniline.

Molecular Properties

Compound Name3,4-dichloro-N-(1-phenylethyl)aniline
PubChem CID43082168
Molecular FormulaC14H13Cl2N
Molecular Weight266.17 g/mol
Exact Mass265.04
IUPAC Name3,4-dichloro-N-(1-phenylethyl)aniline
SMILESCC(Nc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H13Cl2N/c1-10(11-5-3-2-4-6-11)17-12-7-8-13(15)14(16)9-12/h2-10,17H,1H3
InChIKeyAQCPGQRQJRNLPS-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

3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43096908
4-chloro-3-methoxy-N-(1-phenylethyl)aniline
CID 107266476
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol
CID 107704974
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106
3,4-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43101196
3,4-dichloro-N-[1-(3-nitrophenyl)ethyl]aniline
CID 43080349
3-chloro-N-(1-phenylethyl)-4-propoxyaniline
CID 63451288
3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 43104722
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
CID 43101909
3,4-dichloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]aniline
CID 43096444

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1-phenylethyl)aniline?
The IUPAC name of 3,4-dichloro-N-(1-phenylethyl)aniline (CID 43082168) is 3,4-dichloro-N-(1-phenylethyl)aniline.
What is the SMILES notation for 3,4-dichloro-N-(1-phenylethyl)aniline?
The canonical SMILES for 3,4-dichloro-N-(1-phenylethyl)aniline is CC(Nc1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3,4-dichloro-N-(1-phenylethyl)aniline?
The InChIKey is AQCPGQRQJRNLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N/c1-10(11-5-3-2-4-6-11)17-12-7-8-13(15)14(16)9-12/h2-10,17H,1H3.
What are the key properties of 3,4-dichloro-N-(1-phenylethyl)aniline?
3,4-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 3,4-dichloro-N-(1-phenylethyl)aniline is sourced from PubChem (CID 43082168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).