2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide

C13H18ClN3O — CID 55241095

IUPAC2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)Cc1c(N)cccc1Cl
InChIInChI=1S/C13H18ClN3O/c1-17(8-13(18)16-9-5-6-9)7-10-11(14)3-2-4-12(10)15/h2-4,9H,5-8,15H2,1H3,(H,16,18)
InChIKeyZDKRJOGMZJUALY-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.63
Rot. Bonds5

About 2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide

2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide (PubChem CID 55241095) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide
PubChem CID55241095
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)Cc1c(N)cccc1Cl
InChIInChI=1S/C13H18ClN3O/c1-17(8-13(18)16-9-5-6-9)7-10-11(14)3-2-4-12(10)15/h2-4,9H,5-8,15H2,1H3,(H,16,18)
InChIKeyZDKRJOGMZJUALY-UHFFFAOYSA-N
XLogP1.63
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.63
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

methyl 2-amino-6-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]benzoate
CID 104824355
N-cyclopropyl-2-(2,6-dichlorophenyl)acetamide
CID 2682749
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 43575631
N-cyclopropyl-2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]acetamide
CID 55127585
2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]benzoic acid
CID 55002718
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 98620369
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8709179
2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide
CID 113179941
3-chloro-2-[[cyclohexylmethyl(methyl)amino]methyl]aniline
CID 55242058
2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 84869554
2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide
CID 43574806
N-cyclopropyl-2-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-methylamino]acetamide
CID 105351871

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide (CID 55241095) is 2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)Cc1c(N)cccc1Cl.
What is the InChIKey of 2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is ZDKRJOGMZJUALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-17(8-13(18)16-9-5-6-9)7-10-11(14)3-2-4-12(10)15/h2-4,9H,5-8,15H2,1H3,(H,16,18).
What are the key properties of 2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide?
2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 267.76 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 55241095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).