N-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide

C16H18N2O2 — CID 43589395

IUPACN-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cccc(CN)c2)c(O)c1
InChIInChI=1S/C16H18N2O2/c1-11-5-6-14(15(19)7-11)16(20)18-10-13-4-2-3-12(8-13)9-17/h2-8,19H,9-10,17H2,1H3,(H,18,20)
InChIKeyPXCJYTDBHHGWHY-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.09
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide

N-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide (PubChem CID 43589395) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide
PubChem CID43589395
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cccc(CN)c2)c(O)c1
InChIInChI=1S/C16H18N2O2/c1-11-5-6-14(15(19)7-11)16(20)18-10-13-4-2-3-12(8-13)9-17/h2-8,19H,9-10,17H2,1H3,(H,18,20)
InChIKeyPXCJYTDBHHGWHY-UHFFFAOYSA-N
XLogP2.09
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide
CID 63311354
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
N-[(4-chlorophenyl)methyl]-2-hydroxy-4-methylbenzamide
CID 25243582
N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108518093
N-[(3-hydroxyphenyl)methyl]-2,4-dimethylbenzamide
CID 47292289
N-[[3-(aminomethyl)phenyl]methyl]-N'-(2-hydroxy-5-methylphenyl)butanediamide
CID 59934759
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 31694167
2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide
CID 79795606
N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
CID 86991697
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide
CID 115365709
N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide
CID 108519011

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide (CID 43589395) is N-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NCc2cccc(CN)c2)c(O)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide?
The InChIKey is PXCJYTDBHHGWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-5-6-14(15(19)7-11)16(20)18-10-13-4-2-3-12(8-13)9-17/h2-8,19H,9-10,17H2,1H3,(H,18,20).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide?
N-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 43589395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).