4-[2-[2-(dimethylamino)ethyl]anilino]benzoic acid

C17H20N2O2 — CID 18783963

IUPAC4-[2-[2-(dimethylamino)ethyl]anilino]benzoic acid
SMILESCN(C)CCc1ccccc1Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H20N2O2/c1-19(2)12-11-13-5-3-4-6-16(13)18-15-9-7-14(8-10-15)17(20)21/h3-10,18H,11-12H2,1-2H3,(H,20,21)
InChIKeySTBNXDPYPSJCRV-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.23
Rot. Bonds6

About 4-[2-[2-(dimethylamino)ethyl]anilino]benzoic acid

4-[2-[2-(dimethylamino)ethyl]anilino]benzoic acid (PubChem CID 18783963) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[2-[2-(dimethylamino)ethyl]anilino]benzoic acid.

Molecular Properties

Compound Name4-[2-[2-(dimethylamino)ethyl]anilino]benzoic acid
PubChem CID18783963
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[2-[2-(dimethylamino)ethyl]anilino]benzoic acid
SMILESCN(C)CCc1ccccc1Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H20N2O2/c1-19(2)12-11-13-5-3-4-6-16(13)18-15-9-7-14(8-10-15)17(20)21/h3-10,18H,11-12H2,1-2H3,(H,20,21)
InChIKeySTBNXDPYPSJCRV-UHFFFAOYSA-N
XLogP3.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[2-(dimethylamino)ethyl]anilino]methyl]benzoic acid
CID 122033254
N-[2-[2-(dimethylamino)ethyl]phenyl]hydroxylamine
CID 57171134
N-[2-[2-(dimethylamino)ethyl]phenyl]-2-hydroxy-2,2-diphenylacetamide
CID 167755447
4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]benzoic acid;hydrochloride
CID 20982609
4-(2-fluoroanilino)benzoic acid
CID 62231206
3-methyl-4-(2-propylanilino)benzoic acid
CID 63537008
2,6-dichloro-N-[2-[2-(dimethylamino)ethyl]phenyl]aniline
CID 68796254
2-[4-(dimethylcarbamoyl)anilino]benzoic acid
CID 51066170
4-(2-propan-2-yloxyanilino)benzoic acid
CID 82535891
2-[2-(4-bromoanilino)phenyl]acetic acid
CID 18546402
2-[2-(4-butylanilino)phenyl]acetic acid
CID 18546340
2-[2-(2-hydroxyethyl)anilino]benzoic acid
CID 10956213

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(dimethylamino)ethyl]anilino]benzoic acid?
The IUPAC name of 4-[2-[2-(dimethylamino)ethyl]anilino]benzoic acid (CID 18783963) is 4-[2-[2-(dimethylamino)ethyl]anilino]benzoic acid.
What is the SMILES notation for 4-[2-[2-(dimethylamino)ethyl]anilino]benzoic acid?
The canonical SMILES for 4-[2-[2-(dimethylamino)ethyl]anilino]benzoic acid is CN(C)CCc1ccccc1Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[2-(dimethylamino)ethyl]anilino]benzoic acid?
The InChIKey is STBNXDPYPSJCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-19(2)12-11-13-5-3-4-6-16(13)18-15-9-7-14(8-10-15)17(20)21/h3-10,18H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 4-[2-[2-(dimethylamino)ethyl]anilino]benzoic acid?
4-[2-[2-(dimethylamino)ethyl]anilino]benzoic acid has a molecular weight of 284.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(dimethylamino)ethyl]anilino]benzoic acid is sourced from PubChem (CID 18783963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).