N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide

C16H18N2O3 — CID 107721274

IUPACN-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide
SMILESCN(Cc1ccccc1CN)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C16H18N2O3/c1-18(10-12-5-3-2-4-11(12)9-17)16(21)14-8-13(19)6-7-15(14)20/h2-8,19-20H,9-10,17H2,1H3
InChIKeyADJPWMWJNDNQIJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.83
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide

N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide (PubChem CID 107721274) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide
PubChem CID107721274
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide
SMILESCN(Cc1ccccc1CN)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C16H18N2O3/c1-18(10-12-5-3-2-4-11(12)9-17)16(21)14-8-13(19)6-7-15(14)20/h2-8,19-20H,9-10,17H2,1H3
InChIKeyADJPWMWJNDNQIJ-UHFFFAOYSA-N
XLogP1.83
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(2-chlorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501484
N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721381
2-amino-5-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 107074383
N-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide
CID 60922714
N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide
CID 107726322
N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide
CID 60923258
N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide
CID 60922987
2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 107722488
N-[(2-chlorophenyl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79532591
2,5-dihydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 107722894
N-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide
CID 107722501
5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 79882419

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide (CID 107721274) is N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide is CN(Cc1ccccc1CN)C(=O)c1cc(O)ccc1O.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide?
The InChIKey is ADJPWMWJNDNQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-18(10-12-5-3-2-4-11(12)9-17)16(21)14-8-13(19)6-7-15(14)20/h2-8,19-20H,9-10,17H2,1H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide?
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-2,5-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 107721274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).