2-(aminomethyl)-3-(4-tert-butylphenyl)-N-methylpropanamide

C15H24N2O — CID 62095937

IUPAC2-(aminomethyl)-3-(4-tert-butylphenyl)-N-methylpropanamide
SMILESCNC(=O)C(CN)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-15(2,3)13-7-5-11(6-8-13)9-12(10-16)14(18)17-4/h5-8,12H,9-10,16H2,1-4H3,(H,17,18)
InChIKeyYYMBIGHDISVUDN-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.85
Rot. Bonds4

About 2-(aminomethyl)-3-(4-tert-butylphenyl)-N-methylpropanamide

2-(aminomethyl)-3-(4-tert-butylphenyl)-N-methylpropanamide (PubChem CID 62095937) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(4-tert-butylphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(4-tert-butylphenyl)-N-methylpropanamide
PubChem CID62095937
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(aminomethyl)-3-(4-tert-butylphenyl)-N-methylpropanamide
SMILESCNC(=O)C(CN)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-15(2,3)13-7-5-11(6-8-13)9-12(10-16)14(18)17-4/h5-8,12H,9-10,16H2,1-4H3,(H,17,18)
InChIKeyYYMBIGHDISVUDN-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(aminomethyl)-3-(4-tert-butylphenyl)propanoate
CID 43148220
2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide
CID 116850478
2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide
CID 55034895
2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide
CID 62097179
2-(aminomethyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 62097345
(2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide
CID 124512316
2-(aminomethyl)-N-tert-butyl-3-[4-(dimethylamino)phenyl]propanamide
CID 62082409
2-(aminomethyl)-N-tert-butyl-3-(4-cyclopropylphenyl)propanamide
CID 79980056
tert-butyl 2-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]propanoate
CID 44890957
2-amino-2-(4-tert-butylphenyl)-N-methylacetamide
CID 83535922
(3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane
CID 143606958
3-(4-tert-butylphenyl)-2-hydroxypropanamide
CID 69343223

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(4-tert-butylphenyl)-N-methylpropanamide?
The IUPAC name of 2-(aminomethyl)-3-(4-tert-butylphenyl)-N-methylpropanamide (CID 62095937) is 2-(aminomethyl)-3-(4-tert-butylphenyl)-N-methylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(4-tert-butylphenyl)-N-methylpropanamide?
The canonical SMILES for 2-(aminomethyl)-3-(4-tert-butylphenyl)-N-methylpropanamide is CNC(=O)C(CN)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(aminomethyl)-3-(4-tert-butylphenyl)-N-methylpropanamide?
The InChIKey is YYMBIGHDISVUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,3)13-7-5-11(6-8-13)9-12(10-16)14(18)17-4/h5-8,12H,9-10,16H2,1-4H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-3-(4-tert-butylphenyl)-N-methylpropanamide?
2-(aminomethyl)-3-(4-tert-butylphenyl)-N-methylpropanamide has a molecular weight of 248.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(4-tert-butylphenyl)-N-methylpropanamide is sourced from PubChem (CID 62095937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).