2,6-dichloro-N-(1-phenylethyl)aniline

C14H13Cl2N — CID 65467797

IUPAC2,6-dichloro-N-(1-phenylethyl)aniline
SMILESCC(Nc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C14H13Cl2N/c1-10(11-6-3-2-4-7-11)17-14-12(15)8-5-9-13(14)16/h2-10,17H,1H3
InChIKeyGBNCQPWNDIDITI-UHFFFAOYSA-N
MW266.17 g/mol
LogP5.17
Rot. Bonds3

About 2,6-dichloro-N-(1-phenylethyl)aniline

2,6-dichloro-N-(1-phenylethyl)aniline (PubChem CID 65467797) has the molecular formula C14H13Cl2N and a molecular weight of 266.17 g/mol. Its IUPAC name is 2,6-dichloro-N-(1-phenylethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(1-phenylethyl)aniline
PubChem CID65467797
Molecular FormulaC14H13Cl2N
Molecular Weight266.17 g/mol
Exact Mass265.04
IUPAC Name2,6-dichloro-N-(1-phenylethyl)aniline
SMILESCC(Nc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C14H13Cl2N/c1-10(11-6-3-2-4-7-11)17-14-12(15)8-5-9-13(14)16/h2-10,17H,1H3
InChIKeyGBNCQPWNDIDITI-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

2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline
CID 65467192
2,6-dichloro-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 65467800
2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 66251849
2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 65468567
3-chloro-2-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
CID 43524029
3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168
(1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine
CID 961193
2,6-dichloro-N-(3-phenylbutyl)aniline
CID 65469702
3-N-(2,6-dichlorophenyl)-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949025
2-[4-[1-(2,6-dichloroanilino)ethyl]phenoxy]acetonitrile
CID 65468956
2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 108997357
2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine
CID 106890129

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1-phenylethyl)aniline?
The IUPAC name of 2,6-dichloro-N-(1-phenylethyl)aniline (CID 65467797) is 2,6-dichloro-N-(1-phenylethyl)aniline.
What is the SMILES notation for 2,6-dichloro-N-(1-phenylethyl)aniline?
The canonical SMILES for 2,6-dichloro-N-(1-phenylethyl)aniline is CC(Nc1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of 2,6-dichloro-N-(1-phenylethyl)aniline?
The InChIKey is GBNCQPWNDIDITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N/c1-10(11-6-3-2-4-7-11)17-14-12(15)8-5-9-13(14)16/h2-10,17H,1H3.
What are the key properties of 2,6-dichloro-N-(1-phenylethyl)aniline?
2,6-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 2,6-dichloro-N-(1-phenylethyl)aniline is sourced from PubChem (CID 65467797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).