N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide

C17H20N2O — CID 43297799

IUPACN-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC(C)c2ccccc2N)c1
InChIInChI=1S/C17H20N2O/c1-11-8-9-12(2)15(10-11)17(20)19-13(3)14-6-4-5-7-16(14)18/h4-10,13H,18H2,1-3H3,(H,19,20)
InChIKeyISIGDEBYKXNRNA-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.38
Rot. Bonds3

About N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide

N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide (PubChem CID 43297799) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide
PubChem CID43297799
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC(C)c2ccccc2N)c1
InChIInChI=1S/C17H20N2O/c1-11-8-9-12(2)15(10-11)17(20)19-13(3)14-6-4-5-7-16(14)18/h4-10,13H,18H2,1-3H3,(H,19,20)
InChIKeyISIGDEBYKXNRNA-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-aminophenyl)ethyl]-5-chloro-2-methylbenzamide
CID 82880208
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 2473869
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 43297842
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
5-amino-N-[1-(2-bromophenyl)ethyl]-2-methylbenzamide
CID 61291745
N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide
CID 43297755
2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 79770895
N-[1-(2-aminophenyl)ethyl]-2,6-dimethylpyridine-3-carboxamide
CID 62829021
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213
5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 65311896
N-[1-(2-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide
CID 79976141

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide (CID 43297799) is N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NC(C)c2ccccc2N)c1.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide?
The InChIKey is ISIGDEBYKXNRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-8-9-12(2)15(10-11)17(20)19-13(3)14-6-4-5-7-16(14)18/h4-10,13H,18H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide?
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 43297799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).