2-(2-chloro-5-methylanilino)hexanoic acid

C13H18ClNO2 — CID 107636534

IUPAC2-(2-chloro-5-methylanilino)hexanoic acid
SMILESCCCCC(Nc1cc(C)ccc1Cl)C(=O)O
InChIInChI=1S/C13H18ClNO2/c1-3-4-5-11(13(16)17)15-12-8-9(2)6-7-10(12)14/h6-8,11,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyIGWYMYZJMMTTSX-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.70
Rot. Bonds6

About 2-(2-chloro-5-methylanilino)hexanoic acid

2-(2-chloro-5-methylanilino)hexanoic acid (PubChem CID 107636534) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-(2-chloro-5-methylanilino)hexanoic acid.

Molecular Properties

Compound Name2-(2-chloro-5-methylanilino)hexanoic acid
PubChem CID107636534
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-(2-chloro-5-methylanilino)hexanoic acid
SMILESCCCCC(Nc1cc(C)ccc1Cl)C(=O)O
InChIInChI=1S/C13H18ClNO2/c1-3-4-5-11(13(16)17)15-12-8-9(2)6-7-10(12)14/h6-8,11,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyIGWYMYZJMMTTSX-UHFFFAOYSA-N
XLogP3.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylanilino)hexanoic acid
CID 103230729
2-[(2-chloro-4-methylphenyl)carbamoylamino]hexanoic acid
CID 61196684
2-(2-chloroanilino)nonanoic acid
CID 63524442
(2S)-2-[(2-chloro-4-methylbenzoyl)amino]hexanoic acid
CID 107144325
2-(2-bromo-3-chloroanilino)hexanoic acid
CID 103480450
2-(2-chloro-5-methoxyanilino)pentanoic acid
CID 83040688
2-(2-chloro-5-cyanoanilino)pentanoic acid
CID 83041858
2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid
CID 43555003
2-(4-methylanilino)heptanoic acid
CID 54889807
(2R)-2-(2-bromo-4-methylanilino)pentanoic acid
CID 40788533
2-chloro-5-methyl-N-(1-phenylhexyl)aniline
CID 107631201
5-[(2-chloro-5-methylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 107627773

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylanilino)hexanoic acid?
The IUPAC name of 2-(2-chloro-5-methylanilino)hexanoic acid (CID 107636534) is 2-(2-chloro-5-methylanilino)hexanoic acid.
What is the SMILES notation for 2-(2-chloro-5-methylanilino)hexanoic acid?
The canonical SMILES for 2-(2-chloro-5-methylanilino)hexanoic acid is CCCCC(Nc1cc(C)ccc1Cl)C(=O)O.
What is the InChIKey of 2-(2-chloro-5-methylanilino)hexanoic acid?
The InChIKey is IGWYMYZJMMTTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-3-4-5-11(13(16)17)15-12-8-9(2)6-7-10(12)14/h6-8,11,15H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-chloro-5-methylanilino)hexanoic acid?
2-(2-chloro-5-methylanilino)hexanoic acid has a molecular weight of 255.74 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylanilino)hexanoic acid is sourced from PubChem (CID 107636534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).