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

C15H22N2O — CID 63957099

IUPAC3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide
SMILESCCN(CC1CC1)C(=O)CCc1ccccc1N
InChIInChI=1S/C15H22N2O/c1-2-17(11-12-7-8-12)15(18)10-9-13-5-3-4-6-14(13)16/h3-6,12H,2,7-11,16H2,1H3
InChIKeyZNFBBPNVHHFMKU-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.46
Rot. Bonds6

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

3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide (PubChem CID 63957099) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide
PubChem CID63957099
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide
SMILESCCN(CC1CC1)C(=O)CCc1ccccc1N
InChIInChI=1S/C15H22N2O/c1-2-17(11-12-7-8-12)15(18)10-9-13-5-3-4-6-14(13)16/h3-6,12H,2,7-11,16H2,1H3
InChIKeyZNFBBPNVHHFMKU-UHFFFAOYSA-N
XLogP2.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.46
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-(cyclopropylmethyl)-N-methylpropanamide
CID 54883935
3-(2-aminophenyl)-N-ethyl-N-propylpropanamide
CID 43309247
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylpropanamide
CID 55000467
3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570
3-(2-aminophenyl)-N-ethyl-N-phenylpropanamide
CID 28713899
2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide
CID 107398398
3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 120609423
2-amino-N-(cyclopropylmethyl)-N-ethyl-6-methylbenzamide
CID 63954074
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide
CID 120609604
3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride
CID 120608410
3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide
CID 120608816
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 120609034

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide (CID 63957099) is 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide is CCN(CC1CC1)C(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide?
The InChIKey is ZNFBBPNVHHFMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-17(11-12-7-8-12)15(18)10-9-13-5-3-4-6-14(13)16/h3-6,12H,2,7-11,16H2,1H3.
What are the key properties of 3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide?
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide has a molecular weight of 246.35 g/mol, XLogP of 2.46, 6 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-ethylpropanamide is sourced from PubChem (CID 63957099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).