2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide

C16H26N2O — CID 55034895

IUPAC2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(CN)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-16(2,3)14-8-6-12(7-9-14)10-13(11-17)15(19)18(4)5/h6-9,13H,10-11,17H2,1-5H3
InChIKeyUDZVGHSYQFNMJP-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.19
Rot. Bonds4

About 2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide

2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide (PubChem CID 55034895) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide
PubChem CID55034895
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(CN)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-16(2,3)14-8-6-12(7-9-14)10-13(11-17)15(19)18(4)5/h6-9,13H,10-11,17H2,1-5H3
InChIKeyUDZVGHSYQFNMJP-UHFFFAOYSA-N
XLogP2.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(aminomethyl)-3-(4-tert-butylphenyl)propanoate
CID 43148220
2-(aminomethyl)-3-(4-tert-butylphenyl)-N-methylpropanamide
CID 62095937
2-(aminomethyl)-3-(4-cyclopropylphenyl)-N,N-dimethylpropanamide
CID 79980218
2-(aminomethyl)-3-(3,4-difluorophenyl)-N,N-dimethylpropanamide
CID 55034945
2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 55034943
2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide
CID 62122108
2-(aminomethyl)-N,N-dimethyl-3-(2-methylquinolin-6-yl)propanamide
CID 105379042
2-(aminomethyl)-N,N-dimethyl-3-(2-methylphenyl)propanamide
CID 62081363
tert-butyl 2-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]propanoate
CID 44890957
2-(aminomethyl)-N,N-dimethyl-3-(1-methylpyrazol-4-yl)propanamide
CID 62082595
3-(4-tert-butylphenyl)-2-hydroxypropanamide
CID 69343223
(2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide
CID 95180326

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide?
The IUPAC name of 2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide (CID 55034895) is 2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide is CN(C)C(=O)C(CN)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide?
The InChIKey is UDZVGHSYQFNMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,3)14-8-6-12(7-9-14)10-13(11-17)15(19)18(4)5/h6-9,13H,10-11,17H2,1-5H3.
What are the key properties of 2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide?
2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide is sourced from PubChem (CID 55034895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).