N-[2-(aminomethyl)phenyl]-3,4-dihydroxy-N-methylbenzamide

C15H16N2O3 — CID 107727847

IUPACN-[2-(aminomethyl)phenyl]-3,4-dihydroxy-N-methylbenzamide
SMILESCN(C(=O)c1ccc(O)c(O)c1)c1ccccc1CN
InChIInChI=1S/C15H16N2O3/c1-17(12-5-3-2-4-11(12)9-16)15(20)10-6-7-13(18)14(19)8-10/h2-8,18-19H,9,16H2,1H3
InChIKeyODIAPIYTVHPTBJ-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.83
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]-3,4-dihydroxy-N-methylbenzamide

N-[2-(aminomethyl)phenyl]-3,4-dihydroxy-N-methylbenzamide (PubChem CID 107727847) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-3,4-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-3,4-dihydroxy-N-methylbenzamide
PubChem CID107727847
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[2-(aminomethyl)phenyl]-3,4-dihydroxy-N-methylbenzamide
SMILESCN(C(=O)c1ccc(O)c(O)c1)c1ccccc1CN
InChIInChI=1S/C15H16N2O3/c1-17(12-5-3-2-4-11(12)9-16)15(20)10-6-7-13(18)14(19)8-10/h2-8,18-19H,9,16H2,1H3
InChIKeyODIAPIYTVHPTBJ-UHFFFAOYSA-N
XLogP1.83
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide
CID 107728489
3,4-dihydroxy-N-methyl-N-phenylbenzamide
CID 113199261
4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide
CID 107075078
N-[(2-bromophenyl)methyl]-3,4-dihydroxy-N-methylbenzamide
CID 103955411
3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735623
N-(4-ethylphenyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728488
N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
CID 103956579
N-[2-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 102881851
N-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956769
4-(aminomethyl)-N-[2-(furan-2-yl)phenyl]-N,3-dimethylbenzamide
CID 57470787
ethane;N-ethyl-3,4-dihydroxy-N-methylbenzamide
CID 144926311
N-(4-aminobutan-2-yl)-3,4-dihydroxy-N-methylbenzamide
CID 107727840

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-3,4-dihydroxy-N-methylbenzamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-3,4-dihydroxy-N-methylbenzamide (CID 107727847) is N-[2-(aminomethyl)phenyl]-3,4-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-3,4-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-3,4-dihydroxy-N-methylbenzamide is CN(C(=O)c1ccc(O)c(O)c1)c1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-3,4-dihydroxy-N-methylbenzamide?
The InChIKey is ODIAPIYTVHPTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-17(12-5-3-2-4-11(12)9-16)15(20)10-6-7-13(18)14(19)8-10/h2-8,18-19H,9,16H2,1H3.
What are the key properties of N-[2-(aminomethyl)phenyl]-3,4-dihydroxy-N-methylbenzamide?
N-[2-(aminomethyl)phenyl]-3,4-dihydroxy-N-methylbenzamide has a molecular weight of 272.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-3,4-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 107727847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).