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

C17H20ClN — CID 43103984

IUPAC4-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
SMILESCc1cc(C)c(C(C)Nc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H20ClN/c1-11-9-12(2)17(13(3)10-11)14(4)19-16-7-5-15(18)6-8-16/h5-10,14,19H,1-4H3
InChIKeyGDEHZWGOUBYRIB-UHFFFAOYSA-N
MW273.81 g/mol
LogP5.44
Rot. Bonds3

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

4-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline (PubChem CID 43103984) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 4-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
PubChem CID43103984
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name4-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
SMILESCc1cc(C)c(C(C)Nc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H20ClN/c1-11-9-12(2)17(13(3)10-11)14(4)19-16-7-5-15(18)6-8-16/h5-10,14,19H,1-4H3
InChIKeyGDEHZWGOUBYRIB-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.81
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43097496
4-ethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 43109583
N-[4-[1-(2,4,6-trimethylphenyl)ethylamino]phenyl]acetamide
CID 43824765
4-propyl-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 43107132
2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 81271218
2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 65469512
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
3-methoxy-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 43106119
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-4-fluoro-3-methylaniline
CID 63476345
3-chloro-2-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 43122944
4-chloro-N-propan-2-ylaniline;hydrochloride
CID 18349750
N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 16770838

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline?
The IUPAC name of 4-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline (CID 43103984) is 4-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline.
What is the SMILES notation for 4-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline?
The canonical SMILES for 4-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline is Cc1cc(C)c(C(C)Nc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 4-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline?
The InChIKey is GDEHZWGOUBYRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-11-9-12(2)17(13(3)10-11)14(4)19-16-7-5-15(18)6-8-16/h5-10,14,19H,1-4H3.
What are the key properties of 4-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline?
4-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline has a molecular weight of 273.81 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline is sourced from PubChem (CID 43103984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).