2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide

C14H21N3O — CID 43384134

IUPAC2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(Cc1ccccc1N)C1CC1
InChIInChI=1S/C14H21N3O/c1-2-16-14(18)10-17(12-7-8-12)9-11-5-3-4-6-13(11)15/h3-6,12H,2,7-10,15H2,1H3,(H,16,18)
InChIKeyVRGFMYZVUTYJFX-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.37
Rot. Bonds6

About 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide

2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide (PubChem CID 43384134) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide
PubChem CID43384134
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(Cc1ccccc1N)C1CC1
InChIInChI=1S/C14H21N3O/c1-2-16-14(18)10-17(12-7-8-12)9-11-5-3-4-6-13(11)15/h3-6,12H,2,7-10,15H2,1H3,(H,16,18)
InChIKeyVRGFMYZVUTYJFX-UHFFFAOYSA-N
XLogP1.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide
CID 61489764
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide
CID 43461001
2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide
CID 43458547
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide
CID 61489153
3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide
CID 54879017
N-(cyclohexylmethyl)-2-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]acetamide
CID 55828921
2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 43460982
2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline
CID 106453568
ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate
CID 43460945
2-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969
N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide
CID 102921257
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide
CID 55102715

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide (CID 43384134) is 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide is CCNC(=O)CN(Cc1ccccc1N)C1CC1.
What is the InChIKey of 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide?
The InChIKey is VRGFMYZVUTYJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-16-14(18)10-17(12-7-8-12)9-11-5-3-4-6-13(11)15/h3-6,12H,2,7-10,15H2,1H3,(H,16,18).
What are the key properties of 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide?
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide has a molecular weight of 247.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide is sourced from PubChem (CID 43384134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).