3-[3-(dimethylamino)anilino]-4-methylbenzoic acid

C16H18N2O2 — CID 82535979

IUPAC3-[3-(dimethylamino)anilino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1Nc1cccc(N(C)C)c1
InChIInChI=1S/C16H18N2O2/c1-11-7-8-12(16(19)20)9-15(11)17-13-5-4-6-14(10-13)18(2)3/h4-10,17H,1-3H3,(H,19,20)
InChIKeyQOIIQKAFMCJLLO-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.50
Rot. Bonds4

About 3-[3-(dimethylamino)anilino]-4-methylbenzoic acid

3-[3-(dimethylamino)anilino]-4-methylbenzoic acid (PubChem CID 82535979) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[3-(dimethylamino)anilino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)anilino]-4-methylbenzoic acid
PubChem CID82535979
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-[3-(dimethylamino)anilino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1Nc1cccc(N(C)C)c1
InChIInChI=1S/C16H18N2O2/c1-11-7-8-12(16(19)20)9-15(11)17-13-5-4-6-14(10-13)18(2)3/h4-10,17H,1-3H3,(H,19,20)
InChIKeyQOIIQKAFMCJLLO-UHFFFAOYSA-N
XLogP3.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(pyridin-3-ylamino)benzoic acid
CID 82536002
3-[[4-(dimethylamino)benzoyl]amino]-4-methylbenzoic acid
CID 24695586
methyl 4-amino-3-[3-(dimethylamino)anilino]benzoate
CID 82776085
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid
CID 134880122
3-(3,5-ditert-butyl-4-hydroxyanilino)-4-methylbenzoic acid
CID 15340642
5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid
CID 115378021
3-(dimethylcarbamoylamino)-4-methylbenzoic acid
CID 61196836
4-(3,4-dimethylanilino)-3-methylbenzoic acid
CID 63538637
3-(dimethylsulfamoylamino)-4-methylbenzoic acid
CID 28788003
4-(3-ethynylanilino)-3-methylbenzoic acid
CID 63212246
3-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid
CID 6467536

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)anilino]-4-methylbenzoic acid?
The IUPAC name of 3-[3-(dimethylamino)anilino]-4-methylbenzoic acid (CID 82535979) is 3-[3-(dimethylamino)anilino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[3-(dimethylamino)anilino]-4-methylbenzoic acid?
The canonical SMILES for 3-[3-(dimethylamino)anilino]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1Nc1cccc(N(C)C)c1.
What is the InChIKey of 3-[3-(dimethylamino)anilino]-4-methylbenzoic acid?
The InChIKey is QOIIQKAFMCJLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-7-8-12(16(19)20)9-15(11)17-13-5-4-6-14(10-13)18(2)3/h4-10,17H,1-3H3,(H,19,20).
What are the key properties of 3-[3-(dimethylamino)anilino]-4-methylbenzoic acid?
3-[3-(dimethylamino)anilino]-4-methylbenzoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)anilino]-4-methylbenzoic acid is sourced from PubChem (CID 82535979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).