3-(aminomethyl)-5-[(4-hydroxyphenyl)methyl]benzamide

C15H16N2O2 — CID 70930185

IUPAC3-(aminomethyl)-5-[(4-hydroxyphenyl)methyl]benzamide
SMILESNCc1cc(Cc2ccc(O)cc2)cc(C(N)=O)c1
InChIInChI=1S/C15H16N2O2/c16-9-12-6-11(7-13(8-12)15(17)19)5-10-1-3-14(18)4-2-10/h1-4,6-8,18H,5,9,16H2,(H2,17,19)
InChIKeyNVMNOPPLLMDTML-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.54
Rot. Bonds4

About 3-(aminomethyl)-5-[(4-hydroxyphenyl)methyl]benzamide

3-(aminomethyl)-5-[(4-hydroxyphenyl)methyl]benzamide (PubChem CID 70930185) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(aminomethyl)-5-[(4-hydroxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-[(4-hydroxyphenyl)methyl]benzamide
PubChem CID70930185
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-(aminomethyl)-5-[(4-hydroxyphenyl)methyl]benzamide
SMILESNCc1cc(Cc2ccc(O)cc2)cc(C(N)=O)c1
InChIInChI=1S/C15H16N2O2/c16-9-12-6-11(7-13(8-12)15(17)19)5-10-1-3-14(18)4-2-10/h1-4,6-8,18H,5,9,16H2,(H2,17,19)
InChIKeyNVMNOPPLLMDTML-UHFFFAOYSA-N
XLogP1.54
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-[(4-hydroxyphenyl)methyl]benzamide?
The IUPAC name of 3-(aminomethyl)-5-[(4-hydroxyphenyl)methyl]benzamide (CID 70930185) is 3-(aminomethyl)-5-[(4-hydroxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-(aminomethyl)-5-[(4-hydroxyphenyl)methyl]benzamide?
The canonical SMILES for 3-(aminomethyl)-5-[(4-hydroxyphenyl)methyl]benzamide is NCc1cc(Cc2ccc(O)cc2)cc(C(N)=O)c1.
What is the InChIKey of 3-(aminomethyl)-5-[(4-hydroxyphenyl)methyl]benzamide?
The InChIKey is NVMNOPPLLMDTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-9-12-6-11(7-13(8-12)15(17)19)5-10-1-3-14(18)4-2-10/h1-4,6-8,18H,5,9,16H2,(H2,17,19).
What are the key properties of 3-(aminomethyl)-5-[(4-hydroxyphenyl)methyl]benzamide?
3-(aminomethyl)-5-[(4-hydroxyphenyl)methyl]benzamide has a molecular weight of 256.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-[(4-hydroxyphenyl)methyl]benzamide is sourced from PubChem (CID 70930185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).