4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid

C12H16ClNO2 — CID 63081667

IUPAC4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid
SMILESCC(C)CN(C)c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C12H16ClNO2/c1-8(2)7-14(3)11-6-9(13)4-5-10(11)12(15)16/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyYCJJRERMNLRADJ-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.13
Rot. Bonds4

About 4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid

4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid (PubChem CID 63081667) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid
PubChem CID63081667
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid
SMILESCC(C)CN(C)c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C12H16ClNO2/c1-8(2)7-14(3)11-6-9(13)4-5-10(11)12(15)16/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyYCJJRERMNLRADJ-UHFFFAOYSA-N
XLogP3.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid
CID 62701484
2-[bis(3-methylbutyl)amino]-4-chlorobenzoic acid
CID 107870293
4-chloro-2-[2-methylpropyl(methylsulfonyl)amino]benzoic acid
CID 22621087
4-chloro-2-[methyl(pentyl)amino]benzoic acid
CID 63513449
4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid
CID 63513628
4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
CID 63083019
5-chloro-2-(chloromethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 114846372
4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid
CID 63081321
4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde
CID 114843930
4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid
CID 63209038
4-chloro-2-(dipropylamino)benzoic acid
CID 63515020
4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid
CID 63081490

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid (CID 63081667) is 4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid is CC(C)CN(C)c1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid?
The InChIKey is YCJJRERMNLRADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8(2)7-14(3)11-6-9(13)4-5-10(11)12(15)16/h4-6,8H,7H2,1-3H3,(H,15,16).
What are the key properties of 4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid?
4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid has a molecular weight of 241.72 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid is sourced from PubChem (CID 63081667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).