2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide

C12H18ClN3O — CID 55019741

IUPAC2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C(CN)c1cccc(Cl)c1
InChIInChI=1S/C12H18ClN3O/c1-15-12(17)8-16(2)11(7-14)9-4-3-5-10(13)6-9/h3-6,11H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyVCBPNAIAQNEBIW-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.02
Rot. Bonds5

About 2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide

2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide (PubChem CID 55019741) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide
PubChem CID55019741
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C(CN)c1cccc(Cl)c1
InChIInChI=1S/C12H18ClN3O/c1-15-12(17)8-16(2)11(7-14)9-4-3-5-10(13)6-9/h3-6,11H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyVCBPNAIAQNEBIW-UHFFFAOYSA-N
XLogP1.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide
CID 55019790
2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63583159
3-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]-N-methylpropanamide
CID 106914505
2-[bis(3-chlorophenyl)methylsulfanyl]-N-methylacetamide
CID 118654886
N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine
CID 61416664
3-(3-chlorophenyl)-N,4,4-trimethylpentanamide
CID 82088364
1-(3-chlorophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265560
N-[3-(3-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 70558605
1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62001665
1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568892
1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine
CID 43613871
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methylbutanamide
CID 81086824

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide (CID 55019741) is 2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)C(CN)c1cccc(Cl)c1.
What is the InChIKey of 2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide?
The InChIKey is VCBPNAIAQNEBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-15-12(17)8-16(2)11(7-14)9-4-3-5-10(13)6-9/h3-6,11H,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide?
2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide has a molecular weight of 255.75 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 55019741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).