2,4,6-trichloro-N-[1-(2,5-dimethylphenyl)ethyl]aniline

C16H16Cl3N — CID 43126457

IUPAC2,4,6-trichloro-N-[1-(2,5-dimethylphenyl)ethyl]aniline
SMILESCc1ccc(C)c(C(C)Nc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C16H16Cl3N/c1-9-4-5-10(2)13(6-9)11(3)20-16-14(18)7-12(17)8-15(16)19/h4-8,11,20H,1-3H3
InChIKeyZAQNACXDXUQTTB-UHFFFAOYSA-N
MW328.67 g/mol
LogP6.44
Rot. Bonds3

About 2,4,6-trichloro-N-[1-(2,5-dimethylphenyl)ethyl]aniline

2,4,6-trichloro-N-[1-(2,5-dimethylphenyl)ethyl]aniline (PubChem CID 43126457) has the molecular formula C16H16Cl3N and a molecular weight of 328.67 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[1-(2,5-dimethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[1-(2,5-dimethylphenyl)ethyl]aniline
PubChem CID43126457
Molecular FormulaC16H16Cl3N
Molecular Weight328.67 g/mol
Exact Mass327.03
IUPAC Name2,4,6-trichloro-N-[1-(2,5-dimethylphenyl)ethyl]aniline
SMILESCc1ccc(C)c(C(C)Nc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C16H16Cl3N/c1-9-4-5-10(2)13(6-9)11(3)20-16-14(18)7-12(17)8-15(16)19/h4-8,11,20H,1-3H3
InChIKeyZAQNACXDXUQTTB-UHFFFAOYSA-N
XLogP6.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.67
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 43773688
4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741051
N-[1-(2,5-dimethylphenyl)ethyl]-3,5-difluoroaniline
CID 43097532
4-[1-(2,5-dimethylphenyl)ethylamino]phenol
CID 43742646
N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline
CID 43114183
3-[1-(2,5-dimethylphenyl)ethylamino]phenol
CID 43207007
3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol
CID 107714699
2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43105982
2,4,6-trichloro-N-propan-2-ylaniline
CID 28992463
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-2-nitroaniline
CID 43217989
2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43126451
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[1-(2,5-dimethylphenyl)ethyl]aniline?
The IUPAC name of 2,4,6-trichloro-N-[1-(2,5-dimethylphenyl)ethyl]aniline (CID 43126457) is 2,4,6-trichloro-N-[1-(2,5-dimethylphenyl)ethyl]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[1-(2,5-dimethylphenyl)ethyl]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[1-(2,5-dimethylphenyl)ethyl]aniline is Cc1ccc(C)c(C(C)Nc2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4,6-trichloro-N-[1-(2,5-dimethylphenyl)ethyl]aniline?
The InChIKey is ZAQNACXDXUQTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N/c1-9-4-5-10(2)13(6-9)11(3)20-16-14(18)7-12(17)8-15(16)19/h4-8,11,20H,1-3H3.
What are the key properties of 2,4,6-trichloro-N-[1-(2,5-dimethylphenyl)ethyl]aniline?
2,4,6-trichloro-N-[1-(2,5-dimethylphenyl)ethyl]aniline has a molecular weight of 328.67 g/mol, XLogP of 6.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[1-(2,5-dimethylphenyl)ethyl]aniline is sourced from PubChem (CID 43126457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).