2-(aminomethyl)-2-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylbutanamide

C16H25FN2O2 — CID 115432041

IUPAC2-(aminomethyl)-2-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylbutanamide
SMILESCCC(CC)(CN)C(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C16H25FN2O2/c1-4-16(5-2,12-18)15(20)19(3)10-11-21-14-8-6-13(17)7-9-14/h6-9H,4-5,10-12,18H2,1-3H3
InChIKeyARBZEJLTCDGLMH-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.43
Rot. Bonds8

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

2-(aminomethyl)-2-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylbutanamide (PubChem CID 115432041) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylbutanamide
PubChem CID115432041
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name2-(aminomethyl)-2-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylbutanamide
SMILESCCC(CC)(CN)C(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C16H25FN2O2/c1-4-16(5-2,12-18)15(20)19(3)10-11-21-14-8-6-13(17)7-9-14/h6-9H,4-5,10-12,18H2,1-3H3
InChIKeyARBZEJLTCDGLMH-UHFFFAOYSA-N
XLogP2.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylpentanamide
CID 60938123
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 79473071
N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 86909745
1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464033
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride
CID 119695322
N-[3-(aminomethyl)pentan-3-yl]-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119569552
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831117
phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate
CID 60676113
2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 115649486
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide
CID 43346690
4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide
CID 120920103

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylbutanamide (CID 115432041) is 2-(aminomethyl)-2-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylbutanamide is CCC(CC)(CN)C(=O)N(C)CCOc1ccc(F)cc1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylbutanamide?
The InChIKey is ARBZEJLTCDGLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-4-16(5-2,12-18)15(20)19(3)10-11-21-14-8-6-13(17)7-9-14/h6-9H,4-5,10-12,18H2,1-3H3.
What are the key properties of 2-(aminomethyl)-2-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylbutanamide?
2-(aminomethyl)-2-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylbutanamide has a molecular weight of 296.39 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylbutanamide is sourced from PubChem (CID 115432041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).