2-(aminomethyl)-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methylbutanamide

C16H25FN2O — CID 115432049

IUPAC2-(aminomethyl)-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methylbutanamide
SMILESCCC(CC)(CN)C(=O)N(C)C(C)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-5-16(6-2,11-18)15(20)19(4)12(3)13-7-9-14(17)10-8-13/h7-10,12H,5-6,11,18H2,1-4H3
InChIKeyZELFQRAOEYRXHJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.11
Rot. Bonds6

About 2-(aminomethyl)-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methylbutanamide

2-(aminomethyl)-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methylbutanamide (PubChem CID 115432049) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methylbutanamide
PubChem CID115432049
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-(aminomethyl)-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methylbutanamide
SMILESCCC(CC)(CN)C(=O)N(C)C(C)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-5-16(6-2,11-18)15(20)19(4)12(3)13-7-9-14(17)10-8-13/h7-10,12H,5-6,11,18H2,1-4H3
InChIKeyZELFQRAOEYRXHJ-UHFFFAOYSA-N
XLogP3.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide
CID 65269320
(2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119275395
2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 124671108
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 56815151
2-(aminomethyl)-2-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylbutanamide
CID 115432041
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 111334205
2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 117062720
6-[1-(4-fluorophenyl)ethyl-methylamino]-6-oxohexanoic acid
CID 60952600
3,5-diamino-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 61111115
2-(1-aminocyclobutyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 79854166
N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115733563

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methylbutanamide (CID 115432049) is 2-(aminomethyl)-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methylbutanamide is CCC(CC)(CN)C(=O)N(C)C(C)c1ccc(F)cc1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methylbutanamide?
The InChIKey is ZELFQRAOEYRXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-5-16(6-2,11-18)15(20)19(4)12(3)13-7-9-14(17)10-8-13/h7-10,12H,5-6,11,18H2,1-4H3.
What are the key properties of 2-(aminomethyl)-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methylbutanamide?
2-(aminomethyl)-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methylbutanamide has a molecular weight of 280.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methylbutanamide is sourced from PubChem (CID 115432049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).