3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide

C14H20N2O — CID 54883935

IUPAC3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide
SMILESCN(CC1CC1)C(=O)CCc1ccccc1N
InChIInChI=1S/C14H20N2O/c1-16(10-11-6-7-11)14(17)9-8-12-4-2-3-5-13(12)15/h2-5,11H,6-10,15H2,1H3
InChIKeyDKNYADVKNLGRGV-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.07
Rot. Bonds5

About 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide

3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide (PubChem CID 54883935) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide
PubChem CID54883935
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide
SMILESCN(CC1CC1)C(=O)CCc1ccccc1N
InChIInChI=1S/C14H20N2O/c1-16(10-11-6-7-11)14(17)9-8-12-4-2-3-5-13(12)15/h2-5,11H,6-10,15H2,1H3
InChIKeyDKNYADVKNLGRGV-UHFFFAOYSA-N
XLogP2.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.07
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

3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide
CID 120612535
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide
CID 63957099
N-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide
CID 94158892
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylpropanamide
CID 55000467
3-(2-aminophenyl)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylpropanamide;dihydrochloride
CID 120613151
3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide
CID 43309262
3-[3-(2-aminophenyl)propanoyl-methylamino]propanoic acid
CID 107273041
3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride
CID 120608410
3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120608242
3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 107272887
3-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81061981
3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide (CID 54883935) is 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide is CN(CC1CC1)C(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide?
The InChIKey is DKNYADVKNLGRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16(10-11-6-7-11)14(17)9-8-12-4-2-3-5-13(12)15/h2-5,11H,6-10,15H2,1H3.
What are the key properties of 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide?
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide has a molecular weight of 232.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide is sourced from PubChem (CID 54883935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).