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

C15H24N2O — CID 115187036

IUPAC2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]butanamide
SMILESCCC(CN)C(=O)NCCc1ccc(C)c(C)c1
InChIInChI=1S/C15H24N2O/c1-4-14(10-16)15(18)17-8-7-13-6-5-11(2)12(3)9-13/h5-6,9,14H,4,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyNGMYIQZYGAZTJM-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.95
Rot. Bonds6

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

2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]butanamide (PubChem CID 115187036) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]butanamide
PubChem CID115187036
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]butanamide
SMILESCCC(CN)C(=O)NCCc1ccc(C)c(C)c1
InChIInChI=1S/C15H24N2O/c1-4-14(10-16)15(18)17-8-7-13-6-5-11(2)12(3)9-13/h5-6,9,14H,4,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyNGMYIQZYGAZTJM-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[2-(4-methylphenyl)ethyl]butanamide
CID 115187033
2-(aminomethyl)-N-[2-(3,4-difluorophenyl)ethyl]butanamide
CID 115187053
2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide
CID 115186688
2-amino-N-[2-(3,4-dimethylphenyl)ethyl]acetamide
CID 82492265
2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide
CID 115187078
2-amino-3-[2-(3,4-dimethylphenyl)ethylamino]-3-oxopropanoic acid
CID 115179434
ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate
CID 110787279
2-chloro-N-[2-(3,4-dimethylphenyl)ethyl]propanamide
CID 82110156
1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775625
3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide
CID 115154307
N-[2-[2-(aminomethyl)butanoylamino]ethyl]-4-methylbenzamide
CID 65227665
2-(aminomethyl)-N-[(5-bromo-2-methylphenyl)methyl]butanamide
CID 115187003

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]butanamide (CID 115187036) is 2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]butanamide is CCC(CN)C(=O)NCCc1ccc(C)c(C)c1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]butanamide?
The InChIKey is NGMYIQZYGAZTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-14(10-16)15(18)17-8-7-13-6-5-11(2)12(3)9-13/h5-6,9,14H,4,7-8,10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]butanamide?
2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]butanamide has a molecular weight of 248.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 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]butanamide is sourced from PubChem (CID 115187036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).