2-(2-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide

C14H20N2O — CID 43568611

IUPAC2-(2-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide
SMILESCC(C1CC1)N(C)C(=O)Cc1ccccc1N
InChIInChI=1S/C14H20N2O/c1-10(11-7-8-11)16(2)14(17)9-12-5-3-4-6-13(12)15/h3-6,10-11H,7-9,15H2,1-2H3
InChIKeyFKAGIRRPWGYPOB-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.07
Rot. Bonds4

About 2-(2-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide

2-(2-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide (PubChem CID 43568611) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide
PubChem CID43568611
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(2-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide
SMILESCC(C1CC1)N(C)C(=O)Cc1ccccc1N
InChIInChI=1S/C14H20N2O/c1-10(11-7-8-11)16(2)14(17)9-12-5-3-4-6-13(12)15/h3-6,10-11H,7-9,15H2,1-2H3
InChIKeyFKAGIRRPWGYPOB-UHFFFAOYSA-N
XLogP2.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide
CID 43568614
2-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 61109028
2-(2-aminophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide
CID 63222105
2-(2-aminophenyl)-N,N-dimethylacetamide;hydrochloride
CID 141352115
2-(2-aminophenyl)-N-cyclohexyl-N-methylacetamide
CID 16793266
3-amino-2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide
CID 113366949
N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 51547425
N-(2-aminophenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43568725
(3R)-N-[(1S)-1-cyclopropylethyl]-4,4,4-trifluoro-N-methyl-3-phenylbutanamide
CID 95336409
2-(2-aminophenyl)-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide;dihydrochloride
CID 22941425
(2R)-2-amino-N-(1-cyclopropylethyl)-N-methyl-3-phenylpropanamide
CID 78985501
2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide
CID 43569454

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide?
The IUPAC name of 2-(2-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide (CID 43568611) is 2-(2-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide is CC(C1CC1)N(C)C(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide?
The InChIKey is FKAGIRRPWGYPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(11-7-8-11)16(2)14(17)9-12-5-3-4-6-13(12)15/h3-6,10-11H,7-9,15H2,1-2H3.
What are the key properties of 2-(2-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide?
2-(2-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide has a molecular weight of 232.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide is sourced from PubChem (CID 43568611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).