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

C16H18N2O2 — CID 107670516

IUPACN-[[4-(aminomethyl)phenyl]methyl]-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCc1ccc(CN)cc1
InChIInChI=1S/C16H18N2O2/c1-11-8-14(19)6-7-15(11)16(20)18-10-13-4-2-12(9-17)3-5-13/h2-8,19H,9-10,17H2,1H3,(H,18,20)
InChIKeyQDKIOPTYGDSHBM-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.09
Rot. Bonds4

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

N-[[4-(aminomethyl)phenyl]methyl]-4-hydroxy-2-methylbenzamide (PubChem CID 107670516) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-4-hydroxy-2-methylbenzamide
PubChem CID107670516
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCc1ccc(CN)cc1
InChIInChI=1S/C16H18N2O2/c1-11-8-14(19)6-7-15(11)16(20)18-10-13-4-2-12(9-17)3-5-13/h2-8,19H,9-10,17H2,1H3,(H,18,20)
InChIKeyQDKIOPTYGDSHBM-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

4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255
N-[(4-chlorophenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 103863411
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107674361
N-[(3-amino-4-methoxyphenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 107670603
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534
N-[(3-hydroxyphenyl)methyl]-2,4-dimethylbenzamide
CID 47292289
N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide
CID 54936543
4-hydroxy-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113343584
N-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide
CID 107671452
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 81090221
N-[[4-(bromomethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233714
N-[[4-(chloromethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233380

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-4-hydroxy-2-methylbenzamide (CID 107670516) is N-[[4-(aminomethyl)phenyl]methyl]-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NCc1ccc(CN)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-4-hydroxy-2-methylbenzamide?
The InChIKey is QDKIOPTYGDSHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-8-14(19)6-7-15(11)16(20)18-10-13-4-2-12(9-17)3-5-13/h2-8,19H,9-10,17H2,1H3,(H,18,20).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-4-hydroxy-2-methylbenzamide?
N-[[4-(aminomethyl)phenyl]methyl]-4-hydroxy-2-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-[[4-(aminomethyl)phenyl]methyl]-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 107670516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).