4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide

C17H20N2O2 — CID 114479587

IUPAC4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide
SMILESCOc1ccccc1CNCc1ccc(C(N)=O)cc1C
InChIInChI=1S/C17H20N2O2/c1-12-9-13(17(18)20)7-8-14(12)10-19-11-15-5-3-4-6-16(15)21-2/h3-9,19H,10-11H2,1-2H3,(H2,18,20)
InChIKeyYPYSQISHSVWZTM-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.39
Rot. Bonds6

About 4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide

4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide (PubChem CID 114479587) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide
PubChem CID114479587
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide
SMILESCOc1ccccc1CNCc1ccc(C(N)=O)cc1C
InChIInChI=1S/C17H20N2O2/c1-12-9-13(17(18)20)7-8-14(12)10-19-11-15-5-3-4-6-16(15)21-2/h3-9,19H,10-11H2,1-2H3,(H2,18,20)
InChIKeyYPYSQISHSVWZTM-UHFFFAOYSA-N
XLogP2.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide
CID 114480113
3-amino-4-[(2-methoxyphenyl)methylamino]benzamide
CID 43448336
4-amino-3-[(2-methoxyphenyl)methylamino]benzamide
CID 63355954
4-(anilinomethyl)-3-methylbenzamide
CID 114479545
4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide
CID 114480071
4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114480871
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide
CID 114479786
3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222
3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide
CID 114480189
3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide
CID 43664707
4-[[(5-amino-5-oxopentyl)amino]methyl]-3-methylbenzamide
CID 106237505

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide?
The IUPAC name of 4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide (CID 114479587) is 4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide?
The canonical SMILES for 4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide is COc1ccccc1CNCc1ccc(C(N)=O)cc1C.
What is the InChIKey of 4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide?
The InChIKey is YPYSQISHSVWZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-9-13(17(18)20)7-8-14(12)10-19-11-15-5-3-4-6-16(15)21-2/h3-9,19H,10-11H2,1-2H3,(H2,18,20).
What are the key properties of 4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide?
4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide is sourced from PubChem (CID 114479587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).