3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide

C17H20N2O — CID 43778803

IUPAC3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide
SMILESCc1cccc(C(C)NCc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C17H20N2O/c1-12-5-3-7-15(9-12)13(2)19-11-14-6-4-8-16(10-14)17(18)20/h3-10,13,19H,11H2,1-2H3,(H2,18,20)
InChIKeyQDIGSTRGQCBRSB-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.94
Rot. Bonds5

About 3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide

3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide (PubChem CID 43778803) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide
PubChem CID43778803
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide
SMILESCc1cccc(C(C)NCc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C17H20N2O/c1-12-5-3-7-15(9-12)13(2)19-11-14-6-4-8-16(10-14)17(18)20/h3-10,13,19H,11H2,1-2H3,(H2,18,20)
InChIKeyQDIGSTRGQCBRSB-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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-methyl-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]benzamide
CID 104930103
3-[[1-(4-methylsulfanylphenyl)ethylamino]methyl]benzamide
CID 43664717
5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide
CID 81360413
3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide
CID 43664678
3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide
CID 43664738
(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363703
ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate
CID 61498569
3-[[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111659277
4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide
CID 43791628
3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide
CID 43664720

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide?
The IUPAC name of 3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide (CID 43778803) is 3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide.
What is the SMILES notation for 3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide?
The canonical SMILES for 3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide is Cc1cccc(C(C)NCc2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide?
The InChIKey is QDIGSTRGQCBRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-5-3-7-15(9-12)13(2)19-11-14-6-4-8-16(10-14)17(18)20/h3-10,13,19H,11H2,1-2H3,(H2,18,20).
What are the key properties of 3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide?
3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide has a molecular weight of 268.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide is sourced from PubChem (CID 43778803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).