2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide

C15H23ClN2O — CID 115432066

IUPAC2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
SMILESCCC(CC)(CN)C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-4-15(5-2,11-17)14(19)18(3)10-12-6-8-13(16)9-7-12/h6-9H,4-5,10-11,17H2,1-3H3
InChIKeyNBSZGEGNYRLEBF-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.06
Rot. Bonds6

About 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide

2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide (PubChem CID 115432066) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
PubChem CID115432066
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
SMILESCCC(CC)(CN)C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-4-15(5-2,11-17)14(19)18(3)10-12-6-8-13(16)9-7-12/h6-9H,4-5,10-11,17H2,1-3H3
InChIKeyNBSZGEGNYRLEBF-UHFFFAOYSA-N
XLogP3.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-1-(4-chlorophenyl)-3-ethylpentan-2-one
CID 116603686
2-(aminomethyl)-2-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide
CID 115432186
4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 115157372
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 115432024
N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62735212
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methyl-2-oxoacetamide
CID 61414861
1-[(4-chlorophenyl)methyl]-1-methylhydrazine;2,2,2-trifluoroacetic acid
CID 24798854
2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 113308943
2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64511690
3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231249
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide (CID 115432066) is 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide is CCC(CC)(CN)C(=O)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide?
The InChIKey is NBSZGEGNYRLEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-4-15(5-2,11-17)14(19)18(3)10-12-6-8-13(16)9-7-12/h6-9H,4-5,10-11,17H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide?
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide has a molecular weight of 282.81 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide is sourced from PubChem (CID 115432066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).