2,4,6-trichloro-N-(2-methylpentyl)aniline

C12H16Cl3N — CID 43126426

IUPAC2,4,6-trichloro-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl3N/c1-3-4-8(2)7-16-12-10(14)5-9(13)6-11(12)15/h5-6,8,16H,3-4,7H2,1-2H3
InChIKeyYFRGUGZGUNCEQS-UHFFFAOYSA-N
MW280.63 g/mol
LogP5.49
Rot. Bonds5

About 2,4,6-trichloro-N-(2-methylpentyl)aniline

2,4,6-trichloro-N-(2-methylpentyl)aniline (PubChem CID 43126426) has the molecular formula C12H16Cl3N and a molecular weight of 280.63 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(2-methylpentyl)aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-(2-methylpentyl)aniline
PubChem CID43126426
Molecular FormulaC12H16Cl3N
Molecular Weight280.63 g/mol
Exact Mass279.03
IUPAC Name2,4,6-trichloro-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl3N/c1-3-4-8(2)7-16-12-10(14)5-9(13)6-11(12)15/h5-6,8,16H,3-4,7H2,1-2H3
InChIKeyYFRGUGZGUNCEQS-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.63
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-trichloro-N-(2,2-diethoxyethyl)aniline
CID 81093868
5-chloro-2-fluoro-N-(2-methylpentyl)aniline
CID 43438253
3-chloro-N-(2-methylpentyl)aniline
CID 43105827
2,4,6-trichloro-N-(2,2-difluoroethyl)aniline
CID 60922157
6-chloro-8-methyl-N-(2-methylpentyl)quinolin-5-amine
CID 43674590
2-chloro-N-(2-methylpentyl)-6-(trifluoromethyl)aniline
CID 43121811
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine
CID 43095140
5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline
CID 43095051
2,6-dibromo-N-(2-methylpentyl)aniline
CID 107597227
2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen
CID 155692558
5-chloro-2-ethoxy-N-(2-methylpentyl)aniline
CID 63451076
N-(2-methylpentyl)-4-propan-2-ylaniline
CID 43103738

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(2-methylpentyl)aniline?
The IUPAC name of 2,4,6-trichloro-N-(2-methylpentyl)aniline (CID 43126426) is 2,4,6-trichloro-N-(2-methylpentyl)aniline.
What is the SMILES notation for 2,4,6-trichloro-N-(2-methylpentyl)aniline?
The canonical SMILES for 2,4,6-trichloro-N-(2-methylpentyl)aniline is CCCC(C)CNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-(2-methylpentyl)aniline?
The InChIKey is YFRGUGZGUNCEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl3N/c1-3-4-8(2)7-16-12-10(14)5-9(13)6-11(12)15/h5-6,8,16H,3-4,7H2,1-2H3.
What are the key properties of 2,4,6-trichloro-N-(2-methylpentyl)aniline?
2,4,6-trichloro-N-(2-methylpentyl)aniline has a molecular weight of 280.63 g/mol, XLogP of 5.49, 5 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-(2-methylpentyl)aniline is sourced from PubChem (CID 43126426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).