2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide

C16H26N2O — CID 115187078

IUPAC2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide
SMILESCCC(CN)C(=O)N(C)CCc1ccc(C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-5-15(11-17)16(19)18(4)9-8-14-7-6-12(2)13(3)10-14/h6-7,10,15H,5,8-9,11,17H2,1-4H3
InChIKeyWMODNCNDEHUMPA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.29
Rot. Bonds6

About 2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide

2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide (PubChem CID 115187078) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide
PubChem CID115187078
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide
SMILESCCC(CN)C(=O)N(C)CCc1ccc(C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-5-15(11-17)16(19)18(4)9-8-14-7-6-12(2)13(3)10-14/h6-7,10,15H,5,8-9,11,17H2,1-4H3
InChIKeyWMODNCNDEHUMPA-UHFFFAOYSA-N
XLogP2.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168593
2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]butanamide
CID 115187036
2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide
CID 115187012
N'-[2-(3,4-dimethylphenyl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251716
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
CID 79493734
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide
CID 115187094
2-(aminomethyl)-N-methyl-N-[(2,3,4-trimethylphenyl)methyl]butanamide
CID 115187031
3-[2-(3,4-dimethylphenyl)ethyl-methylamino]butanoic acid
CID 117042251
2-hydroxy-N-[2-(4-methoxy-3-methylphenyl)ethyl]-N-methylpropanamide
CID 115141022
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141021
N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide
CID 115186751
2-cyano-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylbutanamide
CID 115188435

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide (CID 115187078) is 2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide is CCC(CN)C(=O)N(C)CCc1ccc(C)c(C)c1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide?
The InChIKey is WMODNCNDEHUMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-15(11-17)16(19)18(4)9-8-14-7-6-12(2)13(3)10-14/h6-7,10,15H,5,8-9,11,17H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide?
2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide is sourced from PubChem (CID 115187078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).