2-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide

C14H21FN2O2 — CID 79805740

IUPAC2-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
SMILESCCC(C)(N)C(=O)N(C)CCOc1ccccc1F
InChIInChI=1S/C14H21FN2O2/c1-4-14(2,16)13(18)17(3)9-10-19-12-8-6-5-7-11(12)15/h5-8H,4,9-10,16H2,1-3H3
InChIKeyHUWYPKKMOJESDM-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.79
Rot. Bonds6

About 2-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide

2-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide (PubChem CID 79805740) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
PubChem CID79805740
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
SMILESCCC(C)(N)C(=O)N(C)CCOc1ccccc1F
InChIInChI=1S/C14H21FN2O2/c1-4-14(2,16)13(18)17(3)9-10-19-12-8-6-5-7-11(12)15/h5-8H,4,9-10,16H2,1-3H3
InChIKeyHUWYPKKMOJESDM-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride
CID 119274507
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368342
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368341
N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 31665805
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylpentanamide
CID 60938123
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
CID 80542832
4-[2-(2-fluorophenoxy)ethyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992870
1-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60938352
N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide
CID 18120040
6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid
CID 60952825
5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 54875239
3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 120608378

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide?
The IUPAC name of 2-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide (CID 79805740) is 2-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide is CCC(C)(N)C(=O)N(C)CCOc1ccccc1F.
What is the InChIKey of 2-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide?
The InChIKey is HUWYPKKMOJESDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-4-14(2,16)13(18)17(3)9-10-19-12-8-6-5-7-11(12)15/h5-8H,4,9-10,16H2,1-3H3.
What are the key properties of 2-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide?
2-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide has a molecular weight of 268.33 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide is sourced from PubChem (CID 79805740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).