1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine

C14H21F2NO — CID 62785219

IUPAC1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(COc1cc(F)cc(F)c1)C(C)(C)C
InChIInChI=1S/C14H21F2NO/c1-5-17-13(14(2,3)4)9-18-12-7-10(15)6-11(16)8-12/h6-8,13,17H,5,9H2,1-4H3
InChIKeyOVOLLSKKBHJQSA-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.37
Rot. Bonds5

About 1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine

1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine (PubChem CID 62785219) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine
PubChem CID62785219
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(COc1cc(F)cc(F)c1)C(C)(C)C
InChIInChI=1S/C14H21F2NO/c1-5-17-13(14(2,3)4)9-18-12-7-10(15)6-11(16)8-12/h6-8,13,17H,5,9H2,1-4H3
InChIKeyOVOLLSKKBHJQSA-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine
CID 62785969
1-(3,5-difluorophenoxy)-N-propylpropan-2-amine
CID 62784297
1-(3,5-difluorophenoxy)-N-methylbutan-2-amine
CID 62786158
1-(3,5-difluorophenoxy)-N-propylbutan-2-amine
CID 62785968
1-(2,2-diethoxyethoxy)-3,5-difluorobenzene
CID 63628941
1-(3,5-difluorophenoxy)propan-2-ol
CID 62784687
1-(2-chloro-4-methylphenoxy)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62671081
1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol
CID 114228810
1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 102981095
1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 63269936
1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 62335575
methyl 4-(3,5-difluorophenoxy)-2-(ethylamino)butanoate
CID 63033189

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine (CID 62785219) is 1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine is CCNC(COc1cc(F)cc(F)c1)C(C)(C)C.
What is the InChIKey of 1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine?
The InChIKey is OVOLLSKKBHJQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-5-17-13(14(2,3)4)9-18-12-7-10(15)6-11(16)8-12/h6-8,13,17H,5,9H2,1-4H3.
What are the key properties of 1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine?
1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine has a molecular weight of 257.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 62785219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).