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

C17H19Cl2N — CID 65469512

IUPAC2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
SMILESCc1cc(C)c(C(C)Nc2c(Cl)cccc2Cl)c(C)c1
InChIInChI=1S/C17H19Cl2N/c1-10-8-11(2)16(12(3)9-10)13(4)20-17-14(18)6-5-7-15(17)19/h5-9,13,20H,1-4H3
InChIKeyXKBKMLJBXFXSCY-UHFFFAOYSA-N
MW308.25 g/mol
LogP6.09
Rot. Bonds3

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

2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline (PubChem CID 65469512) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
PubChem CID65469512
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
SMILESCc1cc(C)c(C(C)Nc2c(Cl)cccc2Cl)c(C)c1
InChIInChI=1S/C17H19Cl2N/c1-10-8-11(2)16(12(3)9-10)13(4)20-17-14(18)6-5-7-15(17)19/h5-9,13,20H,1-4H3
InChIKeyXKBKMLJBXFXSCY-UHFFFAOYSA-N
XLogP6.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-2-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 43122944
2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline
CID 65467192
4-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 43103984
(1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81375595
N-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 63448442
2-bromo-6-chloro-4-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 107610244
2,6-dichloro-N-(1-phenylethyl)aniline
CID 65467797
(2,6-dichlorophenyl)-(2,4,6-trimethylphenyl)methanamine
CID 43102640
3-[1-(2,4,6-trimethylphenyl)ethylamino]benzoic acid
CID 43321862
2-[1-(2,4,6-trichloroanilino)ethyl]benzene-1,3-diol
CID 107710532
1-chloro-3-methyl-2-propan-2-ylbenzene
CID 20768951
5-[1-(2-chloro-6-methylanilino)ethyl]benzene-1,3-diol
CID 107706758

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline?
The IUPAC name of 2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline (CID 65469512) is 2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline is Cc1cc(C)c(C(C)Nc2c(Cl)cccc2Cl)c(C)c1.
What is the InChIKey of 2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline?
The InChIKey is XKBKMLJBXFXSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-10-8-11(2)16(12(3)9-10)13(4)20-17-14(18)6-5-7-15(17)19/h5-9,13,20H,1-4H3.
What are the key properties of 2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline?
2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline has a molecular weight of 308.25 g/mol, XLogP of 6.09, 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-(2,4,6-trimethylphenyl)ethyl]aniline is sourced from PubChem (CID 65469512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).