N-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide

C15H16N2O2 — CID 82827341

IUPACN-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C15H16N2O2/c1-10-13(6-3-7-14(10)18)15(19)17-12-5-2-4-11(8-12)9-16/h2-8,18H,9,16H2,1H3,(H,17,19)
InChIKeyAUKSFMFYGYZCCU-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.41
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide

N-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide (PubChem CID 82827341) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
PubChem CID82827341
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC NameN-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C15H16N2O2/c1-10-13(6-3-7-14(10)18)15(19)17-12-5-2-4-11(8-12)9-16/h2-8,18H,9,16H2,1H3,(H,17,19)
InChIKeyAUKSFMFYGYZCCU-UHFFFAOYSA-N
XLogP2.41
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 82830003
N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
CID 82808670
N-[4-(aminomethyl)-2-methoxyphenyl]-3-hydroxy-2-methylbenzamide
CID 104847667
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-[3-(aminomethyl)phenyl]-5-methylfuran-2-carboxamide
CID 28776681
N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide
CID 82829516
N-[3-(aminomethyl)phenyl]-3-hydroxybenzamide
CID 16772041
N-(4-acetamidophenyl)-3-hydroxy-2-methylbenzamide
CID 82781425
2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107793042
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
3-hydroxy-2-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909988
N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide
CID 114343071

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide (CID 82827341) is N-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide?
The InChIKey is AUKSFMFYGYZCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-13(6-3-7-14(10)18)15(19)17-12-5-2-4-11(8-12)9-16/h2-8,18H,9,16H2,1H3,(H,17,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide?
N-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82827341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).