3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide

C15H16N2O2 — CID 54906216

IUPAC3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1O)C(=O)c1cccc(N)c1
InChIInChI=1S/C15H16N2O2/c1-17(10-12-5-2-3-8-14(12)18)15(19)11-6-4-7-13(16)9-11/h2-9,18H,10,16H2,1H3
InChIKeyPCJLPCVHRJMOMN-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.25
Rot. Bonds3

About 3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide

3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide (PubChem CID 54906216) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
PubChem CID54906216
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1O)C(=O)c1cccc(N)c1
InChIInChI=1S/C15H16N2O2/c1-17(10-12-5-2-3-8-14(12)18)15(19)11-6-4-7-13(16)9-11/h2-9,18H,10,16H2,1H3
InChIKeyPCJLPCVHRJMOMN-UHFFFAOYSA-N
XLogP2.25
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 47290646
3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 60963333
3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426906
N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide
CID 60923258
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
3-amino-N-methyl-N-propylbenzamide
CID 43270761
benzene-1,3-diamine;2-[(dimethylamino)methyl]phenol;formaldehyde
CID 6455837
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide
CID 60938045
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527201
3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61116652
4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47230441

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide (CID 54906216) is 3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide is CN(Cc1ccccc1O)C(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is PCJLPCVHRJMOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17(10-12-5-2-3-8-14(12)18)15(19)11-6-4-7-13(16)9-11/h2-9,18H,10,16H2,1H3.
What are the key properties of 3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide?
3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 256.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 54906216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).