2-(aminomethyl)-N-[2-(4-methylphenyl)ethyl]butanamide

C14H22N2O — CID 115187033

IUPAC2-(aminomethyl)-N-[2-(4-methylphenyl)ethyl]butanamide
SMILESCCC(CN)C(=O)NCCc1ccc(C)cc1
InChIInChI=1S/C14H22N2O/c1-3-13(10-15)14(17)16-9-8-12-6-4-11(2)5-7-12/h4-7,13H,3,8-10,15H2,1-2H3,(H,16,17)
InChIKeyPNUPJOZVOAUFAJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.64
Rot. Bonds6

About 2-(aminomethyl)-N-[2-(4-methylphenyl)ethyl]butanamide

2-(aminomethyl)-N-[2-(4-methylphenyl)ethyl]butanamide (PubChem CID 115187033) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(4-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(4-methylphenyl)ethyl]butanamide
PubChem CID115187033
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(aminomethyl)-N-[2-(4-methylphenyl)ethyl]butanamide
SMILESCCC(CN)C(=O)NCCc1ccc(C)cc1
InChIInChI=1S/C14H22N2O/c1-3-13(10-15)14(17)16-9-8-12-6-4-11(2)5-7-12/h4-7,13H,3,8-10,15H2,1-2H3,(H,16,17)
InChIKeyPNUPJOZVOAUFAJ-UHFFFAOYSA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]butanamide
CID 115187036
N-[2-[2-(aminomethyl)butanoylamino]ethyl]-4-methylbenzamide
CID 65227665
3-amino-2-hydroxy-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180718
2-(aminomethyl)-N-[2-(3,4-difluorophenyl)ethyl]butanamide
CID 115187053
2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide
CID 115187565
(2R)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326879
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326870
2-amino-3-hydroxy-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180033
ethyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 22253656
N-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186683
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
4-[2-(2-ethylbutanoylamino)ethyl]benzenesulfonyl chloride
CID 43133869

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(4-methylphenyl)ethyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(4-methylphenyl)ethyl]butanamide (CID 115187033) is 2-(aminomethyl)-N-[2-(4-methylphenyl)ethyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(4-methylphenyl)ethyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(4-methylphenyl)ethyl]butanamide is CCC(CN)C(=O)NCCc1ccc(C)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(4-methylphenyl)ethyl]butanamide?
The InChIKey is PNUPJOZVOAUFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-13(10-15)14(17)16-9-8-12-6-4-11(2)5-7-12/h4-7,13H,3,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-[2-(4-methylphenyl)ethyl]butanamide?
2-(aminomethyl)-N-[2-(4-methylphenyl)ethyl]butanamide has a molecular weight of 234.34 g/mol, XLogP of 1.64, 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-(4-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 115187033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).