2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide

C16H23N3O — CID 61489153

IUPAC2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CN(Cc1ccccc1N)C1CC1)C1CC1
InChIInChI=1S/C16H23N3O/c1-18(13-6-7-13)16(20)11-19(14-8-9-14)10-12-4-2-3-5-15(12)17/h2-5,13-14H,6-11,17H2,1H3
InChIKeyPRCJWNRHGPUWDH-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.85
Rot. Bonds6

About 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide

2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide (PubChem CID 61489153) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide
PubChem CID61489153
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CN(Cc1ccccc1N)C1CC1)C1CC1
InChIInChI=1S/C16H23N3O/c1-18(13-6-7-13)16(20)11-19(14-8-9-14)10-12-4-2-3-5-15(12)17/h2-5,13-14H,6-11,17H2,1H3
InChIKeyPRCJWNRHGPUWDH-UHFFFAOYSA-N
XLogP1.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide
CID 54879017
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide
CID 43384134
3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120608242
2-(2-aminophenyl)-N-cyclohexyl-N-methylacetamide
CID 16793266
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide
CID 43461001
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide
CID 61489764
ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate
CID 43460945
2-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969
3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride
CID 120608410
2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 43460982
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43460960
N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide
CID 55091731

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide (CID 61489153) is 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide is CN(C(=O)CN(Cc1ccccc1N)C1CC1)C1CC1.
What is the InChIKey of 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide?
The InChIKey is PRCJWNRHGPUWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18(13-6-7-13)16(20)11-19(14-8-9-14)10-12-4-2-3-5-15(12)17/h2-5,13-14H,6-11,17H2,1H3.
What are the key properties of 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide?
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide has a molecular weight of 273.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 61489153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).