3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide

C18H22N2O — CID 43664706

IUPAC3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide
SMILESCc1ccc(C(C)NCc2cccc(C(N)=O)c2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-12-7-8-17(13(2)9-12)14(3)20-11-15-5-4-6-16(10-15)18(19)21/h4-10,14,20H,11H2,1-3H3,(H2,19,21)
InChIKeyQRDAJWVUPHXXAE-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.25
Rot. Bonds5

About 3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide

3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide (PubChem CID 43664706) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide
PubChem CID43664706
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide
SMILESCc1ccc(C(C)NCc2cccc(C(N)=O)c2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-12-7-8-17(13(2)9-12)14(3)20-11-15-5-4-6-16(10-15)18(19)21/h4-10,14,20H,11H2,1-3H3,(H2,19,21)
InChIKeyQRDAJWVUPHXXAE-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide
CID 43778803
3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
CID 28564891
3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide
CID 43664720
5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613858
3-[(2,4-dimethylanilino)methyl]benzamide
CID 28564440
3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide
CID 43664678
3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide
CID 43664738
ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate
CID 61498569
3-[(2,4,6-trimethylanilino)methyl]benzamide
CID 63276989
3-[[1-(4-methylsulfanylphenyl)ethylamino]methyl]benzamide
CID 43664717
3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide
CID 55172421
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide?
The IUPAC name of 3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide (CID 43664706) is 3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide.
What is the SMILES notation for 3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide?
The canonical SMILES for 3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide is Cc1ccc(C(C)NCc2cccc(C(N)=O)c2)c(C)c1.
What is the InChIKey of 3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide?
The InChIKey is QRDAJWVUPHXXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-7-8-17(13(2)9-12)14(3)20-11-15-5-4-6-16(10-15)18(19)21/h4-10,14,20H,11H2,1-3H3,(H2,19,21).
What are the key properties of 3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide?
3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide is sourced from PubChem (CID 43664706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).