3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide

C17H20N2O2 — CID 43664720

IUPAC3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide
SMILESCOc1ccccc1C(C)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C17H20N2O2/c1-12(15-8-3-4-9-16(15)21-2)19-11-13-6-5-7-14(10-13)17(18)20/h3-10,12,19H,11H2,1-2H3,(H2,18,20)
InChIKeyRGAIUQFFZZZDDE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.64
Rot. Bonds6

About 3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide

3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide (PubChem CID 43664720) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide
PubChem CID43664720
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide
SMILESCOc1ccccc1C(C)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C17H20N2O2/c1-12(15-8-3-4-9-16(15)21-2)19-11-13-6-5-7-14(10-13)17(18)20/h3-10,12,19H,11H2,1-2H3,(H2,18,20)
InChIKeyRGAIUQFFZZZDDE-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
CID 28564891
3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide
CID 43664706
3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide
CID 43664738
2-methoxy-5-[[1-(2-methoxyphenyl)ethylamino]methyl]phenol
CID 43180902
2-methoxy-4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 28624338
3-[[[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]methyl]-N-methylbenzamide
CID 97230706
3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide
CID 43778803
ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate
CID 61498569
3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide
CID 43664678
3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide
CID 43664707
3-[[1-(4-methylsulfanylphenyl)ethylamino]methyl]benzamide
CID 43664717
3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide
CID 55172421

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide?
The IUPAC name of 3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide (CID 43664720) is 3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide.
What is the SMILES notation for 3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide?
The canonical SMILES for 3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide is COc1ccccc1C(C)NCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide?
The InChIKey is RGAIUQFFZZZDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(15-8-3-4-9-16(15)21-2)19-11-13-6-5-7-14(10-13)17(18)20/h3-10,12,19H,11H2,1-2H3,(H2,18,20).
What are the key properties of 3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide?
3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide is sourced from PubChem (CID 43664720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).