4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide

C16H18N2O2 — CID 103796375

IUPAC4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESNCc1ccc(C(=O)NCc2cccc(CO)c2)cc1
InChIInChI=1S/C16H18N2O2/c17-9-12-4-6-15(7-5-12)16(20)18-10-13-2-1-3-14(8-13)11-19/h1-8,19H,9-11,17H2,(H,18,20)
InChIKeyUXTCJOUPPFFWIL-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.57
Rot. Bonds5

About 4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide

4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide (PubChem CID 103796375) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
PubChem CID103796375
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESNCc1ccc(C(=O)NCc2cccc(CO)c2)cc1
InChIInChI=1S/C16H18N2O2/c17-9-12-4-6-15(7-5-12)16(20)18-10-13-2-1-3-14(8-13)11-19/h1-8,19H,9-11,17H2,(H,18,20)
InChIKeyUXTCJOUPPFFWIL-UHFFFAOYSA-N
XLogP1.57
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229542
4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107216600
4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103956150
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
N-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate
CID 25062030
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55204660
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 81002022

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide (CID 103796375) is 4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide is NCc1ccc(C(=O)NCc2cccc(CO)c2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The InChIKey is UXTCJOUPPFFWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-9-12-4-6-15(7-5-12)16(20)18-10-13-2-1-3-14(8-13)11-19/h1-8,19H,9-11,17H2,(H,18,20).
What are the key properties of 4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide has a molecular weight of 270.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 103796375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).