3-(methylamino)benzoic acid;hydrochloride

C8H10ClNO2 — CID 55250935

IUPAC3-(methylamino)benzoic acid;hydrochloride
SMILESCNc1cccc(C(=O)O)c1.Cl
InChIInChI=1S/C8H9NO2.ClH/c1-9-7-4-2-3-6(5-7)8(10)11;/h2-5,9H,1H3,(H,10,11);1H
InChIKeyITXSCWSMUFDUOW-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.85
Rot. Bonds2

About 3-(methylamino)benzoic acid;hydrochloride

3-(methylamino)benzoic acid;hydrochloride (PubChem CID 55250935) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 3-(methylamino)benzoic acid;hydrochloride.

Molecular Properties

Compound Name3-(methylamino)benzoic acid;hydrochloride
PubChem CID55250935
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name3-(methylamino)benzoic acid;hydrochloride
SMILESCNc1cccc(C(=O)O)c1.Cl
InChIInChI=1S/C8H9NO2.ClH/c1-9-7-4-2-3-6(5-7)8(10)11;/h2-5,9H,1H3,(H,10,11);1H
InChIKeyITXSCWSMUFDUOW-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(methylamino)phenyl]-phenylmethanone
CID 19894083
3-(methylamino)benzamide
CID 18727714
benzene-1,3-dicarboxylic acid;N-methylpyridin-3-amine;hydrochloride
CID 174581600
ethane;3-(methylamino)benzamide
CID 142071023
ethane;3-hydrazinylbenzoic acid
CID 142968377
N,N-dimethyl-3-(methylamino)benzamide;ethane
CID 91408702
[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 70790157
N-tert-butyl-N-methyl-3-(methylamino)benzamide
CID 115160852
benzene-1,3-dicarboxylic acid;4-ethynyl-N-methylaniline
CID 174688480
[3-(methylamino)phenyl]carbamic acid
CID 66771222
1-carboxy-3-(diazonioamino)benzene
CID 56608787
3-(trifluoromethylamino)benzoic acid;hydrofluoride
CID 70504722

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)benzoic acid;hydrochloride?
The IUPAC name of 3-(methylamino)benzoic acid;hydrochloride (CID 55250935) is 3-(methylamino)benzoic acid;hydrochloride.
What is the SMILES notation for 3-(methylamino)benzoic acid;hydrochloride?
The canonical SMILES for 3-(methylamino)benzoic acid;hydrochloride is CNc1cccc(C(=O)O)c1.Cl.
What is the InChIKey of 3-(methylamino)benzoic acid;hydrochloride?
The InChIKey is ITXSCWSMUFDUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.ClH/c1-9-7-4-2-3-6(5-7)8(10)11;/h2-5,9H,1H3,(H,10,11);1H.
What are the key properties of 3-(methylamino)benzoic acid;hydrochloride?
3-(methylamino)benzoic acid;hydrochloride has a molecular weight of 187.63 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)benzoic acid;hydrochloride is sourced from PubChem (CID 55250935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).