methyl 4-amino-3-(dimethylamino)benzoate;hydrochloride

C10H15ClN2O2 — CID 75525893

IUPACmethyl 4-amino-3-(dimethylamino)benzoate;hydrochloride
SMILESCOC(=O)c1ccc(N)c(N(C)C)c1.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-12(2)9-6-7(10(13)14-3)4-5-8(9)11;/h4-6H,11H2,1-3H3;1H
InChIKeyGQCGKUFTHDCWKR-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.54
Rot. Bonds2

About methyl 4-amino-3-(dimethylamino)benzoate;hydrochloride

methyl 4-amino-3-(dimethylamino)benzoate;hydrochloride (PubChem CID 75525893) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.70 g/mol. Its IUPAC name is methyl 4-amino-3-(dimethylamino)benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-amino-3-(dimethylamino)benzoate;hydrochloride
PubChem CID75525893
Molecular FormulaC10H15ClN2O2
Molecular Weight230.70 g/mol
Exact Mass230.08
IUPAC Namemethyl 4-amino-3-(dimethylamino)benzoate;hydrochloride
SMILESCOC(=O)c1ccc(N)c(N(C)C)c1.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-12(2)9-6-7(10(13)14-3)4-5-8(9)11;/h4-6H,11H2,1-3H3;1H
InChIKeyGQCGKUFTHDCWKR-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-3-bromobenzoate;methyl 3-bromo-4-(dimethylamino)benzoate
CID 158714477
4-amino-3-(dimethylamino)benzoic acid
CID 82785522
methyl 4-amino-3-[bis(2-hydroxyethyl)amino]benzoate
CID 82786040
methyl 4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzoate
CID 112663478
methyl 4-amino-3-[cycloheptyl(methyl)amino]benzoate
CID 82785545
methyl 4-amino-3-[3-methoxypropyl(methyl)amino]benzoate
CID 82795630
methyl 4-amino-3-(dibutylamino)benzoate
CID 82785041
methyl 4-amino-3-[methyl-(4-methylcyclohexyl)amino]benzoate
CID 82785655
methyl 4-(dimethylamino)-3-iodobenzoate
CID 44828979
methyl 4-amino-3-methoxybenzoate
CID 602411
methyl 4-amino-3-(3-cyano-N-methylanilino)benzoate
CID 82776313
methyl 4-amino-3-[methyl(thiolan-3-yl)amino]benzoate
CID 82784822

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(dimethylamino)benzoate;hydrochloride?
The IUPAC name of methyl 4-amino-3-(dimethylamino)benzoate;hydrochloride (CID 75525893) is methyl 4-amino-3-(dimethylamino)benzoate;hydrochloride.
What is the SMILES notation for methyl 4-amino-3-(dimethylamino)benzoate;hydrochloride?
The canonical SMILES for methyl 4-amino-3-(dimethylamino)benzoate;hydrochloride is COC(=O)c1ccc(N)c(N(C)C)c1.Cl.
What is the InChIKey of methyl 4-amino-3-(dimethylamino)benzoate;hydrochloride?
The InChIKey is GQCGKUFTHDCWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c1-12(2)9-6-7(10(13)14-3)4-5-8(9)11;/h4-6H,11H2,1-3H3;1H.
What are the key properties of methyl 4-amino-3-(dimethylamino)benzoate;hydrochloride?
methyl 4-amino-3-(dimethylamino)benzoate;hydrochloride has a molecular weight of 230.70 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(dimethylamino)benzoate;hydrochloride is sourced from PubChem (CID 75525893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).