4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide

C16H18N2O2 — CID 114480871

IUPAC4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNCc1ccc(O)cc1
InChIInChI=1S/C16H18N2O2/c1-11-8-13(16(17)20)4-5-14(11)10-18-9-12-2-6-15(19)7-3-12/h2-8,18-19H,9-10H2,1H3,(H2,17,20)
InChIKeyQFUSYQJZXCYMKI-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.09
Rot. Bonds5

About 4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide

4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide (PubChem CID 114480871) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
PubChem CID114480871
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNCc1ccc(O)cc1
InChIInChI=1S/C16H18N2O2/c1-11-8-13(16(17)20)4-5-14(11)10-18-9-12-2-6-15(19)7-3-12/h2-8,18-19H,9-10H2,1H3,(H2,17,20)
InChIKeyQFUSYQJZXCYMKI-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide
CID 114479786
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide
CID 114480189
4-[[(5-amino-5-oxopentyl)amino]methyl]-3-methylbenzamide
CID 106237505
4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114479587
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide
CID 114480854
4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide
CID 107317528
4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide
CID 114480433
3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide
CID 114479915
3-methyl-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzamide
CID 106417982
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
4-(anilinomethyl)-3-methylbenzamide
CID 114479545

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide?
The IUPAC name of 4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide (CID 114480871) is 4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide?
The canonical SMILES for 4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1CNCc1ccc(O)cc1.
What is the InChIKey of 4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide?
The InChIKey is QFUSYQJZXCYMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-8-13(16(17)20)4-5-14(11)10-18-9-12-2-6-15(19)7-3-12/h2-8,18-19H,9-10H2,1H3,(H2,17,20).
What are the key properties of 4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide?
4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide is sourced from PubChem (CID 114480871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).