2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide

C16H18N2O3 — CID 106786214

IUPAC2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide
SMILESCOc1cc(COc2ccccc2C(N)=O)ccc1CN
InChIInChI=1S/C16H18N2O3/c1-20-15-8-11(6-7-12(15)9-17)10-21-14-5-3-2-4-13(14)16(18)19/h2-8H,9-10,17H2,1H3,(H2,18,19)
InChIKeyCPJXALSDDZASJP-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.83
Rot. Bonds6

About 2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide

2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide (PubChem CID 106786214) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide
PubChem CID106786214
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide
SMILESCOc1cc(COc2ccccc2C(N)=O)ccc1CN
InChIInChI=1S/C16H18N2O3/c1-20-15-8-11(6-7-12(15)9-17)10-21-14-5-3-2-4-13(14)16(18)19/h2-8H,9-10,17H2,1H3,(H2,18,19)
InChIKeyCPJXALSDDZASJP-UHFFFAOYSA-N
XLogP1.83
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 106786180
[2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine
CID 106786332
2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzamide
CID 8939782
2-[(4-phenylphenyl)methoxy]benzamide
CID 8011325
2-[(4-carbamothioylphenyl)methoxy]benzamide
CID 24702610
2-[(3-phenylmethoxyphenyl)methoxy]benzamide
CID 60603891
3-[(2-carbamoylphenoxy)methyl]benzoic acid
CID 24691110
2-[(2-amino-4-pyridinyl)methoxy]benzamide
CID 62463915
2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]but-2-ynoxy]benzamide
CID 71803254
2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107743803
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzamide
CID 43218560

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide?
The IUPAC name of 2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide (CID 106786214) is 2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide.
What is the SMILES notation for 2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide?
The canonical SMILES for 2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide is COc1cc(COc2ccccc2C(N)=O)ccc1CN.
What is the InChIKey of 2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide?
The InChIKey is CPJXALSDDZASJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-15-8-11(6-7-12(15)9-17)10-21-14-5-3-2-4-13(14)16(18)19/h2-8H,9-10,17H2,1H3,(H2,18,19).
What are the key properties of 2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide?
2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide has a molecular weight of 286.33 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide is sourced from PubChem (CID 106786214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).