4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine

C15H23F2NO2 — CID 103149560

IUPAC4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine
SMILESCCNC(CCOCC(F)F)Cc1cccc(OC)c1
InChIInChI=1S/C15H23F2NO2/c1-3-18-13(7-8-20-11-15(16)17)9-12-5-4-6-14(10-12)19-2/h4-6,10,13,15,18H,3,7-9,11H2,1-2H3
InChIKeyUFXJEOJRDAIHJB-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.89
Rot. Bonds10

About 4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine

4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine (PubChem CID 103149560) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine
PubChem CID103149560
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Name4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine
SMILESCCNC(CCOCC(F)F)Cc1cccc(OC)c1
InChIInChI=1S/C15H23F2NO2/c1-3-18-13(7-8-20-11-15(16)17)9-12-5-4-6-14(10-12)19-2/h4-6,10,13,15,18H,3,7-9,11H2,1-2H3
InChIKeyUFXJEOJRDAIHJB-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 103149747
[4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine
CID 105295390
N-ethyl-1-(3-methoxyphenyl)octan-2-amine
CID 62602505
4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
CID 103149509
N-ethyl-5-methoxy-1-(3-methoxyphenyl)-5-methylhexan-2-amine
CID 103031663
1-(2,2-difluoroethoxymethyl)-3-methoxybenzene
CID 88878889
1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61063977
1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61064502
1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 107309180
1-(5-chloro-2-methoxyphenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 103149649
4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 55210216
1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 65139316

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine (CID 103149560) is 4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine is CCNC(CCOCC(F)F)Cc1cccc(OC)c1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine?
The InChIKey is UFXJEOJRDAIHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-3-18-13(7-8-20-11-15(16)17)9-12-5-4-6-14(10-12)19-2/h4-6,10,13,15,18H,3,7-9,11H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine?
4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine has a molecular weight of 287.35 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 103149560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).