N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide

C17H20N2O — CID 43459006

IUPACN-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide
SMILESCCN(Cc1cccc(N)c1)C(=O)c1ccccc1C
InChIInChI=1S/C17H20N2O/c1-3-19(12-14-8-6-9-15(18)11-14)17(20)16-10-5-4-7-13(16)2/h4-11H,3,12,18H2,1-2H3
InChIKeyHLXNNSYKQHSYAH-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.24
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide

N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide (PubChem CID 43459006) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide
PubChem CID43459006
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide
SMILESCCN(Cc1cccc(N)c1)C(=O)c1ccccc1C
InChIInChI=1S/C17H20N2O/c1-3-19(12-14-8-6-9-15(18)11-14)17(20)16-10-5-4-7-13(16)2/h4-11H,3,12,18H2,1-2H3
InChIKeyHLXNNSYKQHSYAH-UHFFFAOYSA-N
XLogP3.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458950
N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide
CID 43459683
N-[(3-aminophenyl)methyl]-N-ethyl-3-methylpyridine-2-carboxamide
CID 62340614
N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide
CID 106500076
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide
CID 43458930
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluorobenzamide
CID 43458961
N-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide
CID 64948867
N-[(3-aminophenyl)methyl]-3-chloro-N-ethyl-4-methylthiophene-2-carboxamide
CID 103399805
N-[(3-aminophenyl)methyl]-N-ethylpyrimidine-5-carboxamide
CID 102921247
N-[(3-aminophenyl)methyl]-N-ethyl-6-methylpyridine-3-carboxamide
CID 43458991

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide (CID 43459006) is N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide is CCN(Cc1cccc(N)c1)C(=O)c1ccccc1C.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide?
The InChIKey is HLXNNSYKQHSYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-19(12-14-8-6-9-15(18)11-14)17(20)16-10-5-4-7-13(16)2/h4-11H,3,12,18H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide?
N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide is sourced from PubChem (CID 43459006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).