2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide

C15H24N2O — CID 114290774

IUPAC2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide
SMILESCCc1ccccc1CNC(=O)C(C)(CC)CN
InChIInChI=1S/C15H24N2O/c1-4-12-8-6-7-9-13(12)10-17-14(18)15(3,5-2)11-16/h6-9H,4-5,10-11,16H2,1-3H3,(H,17,18)
InChIKeyGWSOKRZPAZJTBK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.24
Rot. Bonds6

About 2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide

2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide (PubChem CID 114290774) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide
PubChem CID114290774
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide
SMILESCCc1ccccc1CNC(=O)C(C)(CC)CN
InChIInChI=1S/C15H24N2O/c1-4-12-8-6-7-9-13(12)10-17-14(18)15(3,5-2)11-16/h6-9H,4-5,10-11,16H2,1-3H3,(H,17,18)
InChIKeyGWSOKRZPAZJTBK-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide
CID 81490013
2-(aminomethyl)-N-ethyl-2-methylbutanamide
CID 114290216
N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide
CID 62679521
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide
CID 113308938
2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide
CID 79796852
2-(aminomethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide
CID 106370930
N-[(2-ethylphenyl)methyl]-2-methylpropanamide
CID 64694185
ethane;N-[(2-ethylphenyl)methyl]acetamide
CID 142489172
3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 119705501
2-(aminomethyl)-2-methyl-N-(2H-tetrazol-5-ylmethyl)butanamide
CID 114290570
2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide
CID 79796502
2-[(2-ethylphenyl)methylcarbamoylamino]-2-methylbutanoic acid
CID 79800784

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide (CID 114290774) is 2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide is CCc1ccccc1CNC(=O)C(C)(CC)CN.
What is the InChIKey of 2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide?
The InChIKey is GWSOKRZPAZJTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-12-8-6-7-9-13(12)10-17-14(18)15(3,5-2)11-16/h6-9H,4-5,10-11,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide?
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 2.24, 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-ethylphenyl)methyl]-2-methylbutanamide is sourced from PubChem (CID 114290774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).