2,6-dichloro-N-pentan-2-ylaniline

C11H15Cl2N — CID 65469888

IUPAC2,6-dichloro-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2N/c1-3-5-8(2)14-11-9(12)6-4-7-10(11)13/h4,6-8,14H,3,5H2,1-2H3
InChIKeyNGZRARGVDQJFBO-UHFFFAOYSA-N
MW232.15 g/mol
LogP4.59
Rot. Bonds4

About 2,6-dichloro-N-pentan-2-ylaniline

2,6-dichloro-N-pentan-2-ylaniline (PubChem CID 65469888) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is 2,6-dichloro-N-pentan-2-ylaniline.

Molecular Properties

Compound Name2,6-dichloro-N-pentan-2-ylaniline
PubChem CID65469888
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name2,6-dichloro-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2N/c1-3-5-8(2)14-11-9(12)6-4-7-10(11)13/h4,6-8,14H,3,5H2,1-2H3
InChIKeyNGZRARGVDQJFBO-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dichloro-N-octan-2-ylaniline
CID 65469716
3-chloro-1-N-pentan-2-ylbenzene-1,2-diamine
CID 104833946
2,6-dichloro-N-[1-(4-chlorophenyl)butyl]aniline
CID 65467204
2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 65468772
3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide
CID 133225006
2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline
CID 66251264
2-chloro-5-fluoro-N-pentan-2-ylaniline
CID 107527281
2-chloro-4-iodo-N-pentan-2-ylaniline
CID 43733727
2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide
CID 103478871
2,6-dichloro-N-(1-phenylethyl)aniline
CID 65467797
2,6-dichloro-N-(1,1-dimethoxypropan-2-yl)aniline
CID 65468927
3-amino-2-(pentan-2-ylamino)benzamide
CID 112577695

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-pentan-2-ylaniline?
The IUPAC name of 2,6-dichloro-N-pentan-2-ylaniline (CID 65469888) is 2,6-dichloro-N-pentan-2-ylaniline.
What is the SMILES notation for 2,6-dichloro-N-pentan-2-ylaniline?
The canonical SMILES for 2,6-dichloro-N-pentan-2-ylaniline is CCCC(C)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-pentan-2-ylaniline?
The InChIKey is NGZRARGVDQJFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N/c1-3-5-8(2)14-11-9(12)6-4-7-10(11)13/h4,6-8,14H,3,5H2,1-2H3.
What are the key properties of 2,6-dichloro-N-pentan-2-ylaniline?
2,6-dichloro-N-pentan-2-ylaniline has a molecular weight of 232.15 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-pentan-2-ylaniline is sourced from PubChem (CID 65469888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).