2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline

C15H15Cl2N — CID 65467192

IUPAC2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H15Cl2N/c1-10-6-8-12(9-7-10)11(2)18-15-13(16)4-3-5-14(15)17/h3-9,11,18H,1-2H3
InChIKeyADWMKFZTKRJPHD-UHFFFAOYSA-N
MW280.20 g/mol
LogP5.47
Rot. Bonds3

About 2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline

2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline (PubChem CID 65467192) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline
PubChem CID65467192
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H15Cl2N/c1-10-6-8-12(9-7-10)11(2)18-15-13(16)4-3-5-14(15)17/h3-9,11,18H,1-2H3
InChIKeyADWMKFZTKRJPHD-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.20
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dichloro-N-(1-phenylethyl)aniline
CID 65467797
2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 66251849
2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 65468567
2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 65469512
5-[1-(2-chloro-6-methylanilino)ethyl]benzene-1,3-diol
CID 107706758
2-[4-[1-(2,6-dichloroanilino)ethyl]phenoxy]acetonitrile
CID 65468956
2,6-dichloro-N-[1-(4-methyl-3-nitrophenyl)ethyl]aniline
CID 65469894
3-chloro-2-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
CID 43524029
4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43093665
5-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 54968175
4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline
CID 43126639
2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-6-methylaniline
CID 66254017

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline?
The IUPAC name of 2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline (CID 65467192) is 2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline is Cc1ccc(C(C)Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline?
The InChIKey is ADWMKFZTKRJPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-10-6-8-12(9-7-10)11(2)18-15-13(16)4-3-5-14(15)17/h3-9,11,18H,1-2H3.
What are the key properties of 2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline?
2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline has a molecular weight of 280.20 g/mol, XLogP of 5.47, 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-(4-methylphenyl)ethyl]aniline is sourced from PubChem (CID 65467192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).