2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine

C15H23F2NO — CID 82004546

IUPAC2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(COCC(F)F)NCC)cc1
InChIInChI=1S/C15H23F2NO/c1-3-5-12-6-8-13(9-7-12)14(18-4-2)10-19-11-15(16)17/h6-9,14-15,18H,3-5,10-11H2,1-2H3
InChIKeyAHVBKAYODWEPDK-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.57
Rot. Bonds9

About 2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine

2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine (PubChem CID 82004546) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine
PubChem CID82004546
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(COCC(F)F)NCC)cc1
InChIInChI=1S/C15H23F2NO/c1-3-5-12-6-8-13(9-7-12)14(18-4-2)10-19-11-15(16)17/h6-9,14-15,18H,3-5,10-11H2,1-2H3
InChIKeyAHVBKAYODWEPDK-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine
CID 63475832
2-(2,2-difluoroethoxy)-1-(4-propylphenyl)ethanol
CID 82007292
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine
CID 103149543
N-ethyl-1-(4-propylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66277594
2-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)-N-ethylethanamine
CID 82004029
N-ethyl-2-(2-methylpropoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 63474019
2-cyclobutyloxy-N-ethyl-1-(4-propylphenyl)ethanamine
CID 62116839
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine
CID 103149707
N-ethyl-2-phenyl-1-(4-propylphenyl)ethanamine
CID 43491649
N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 64611527
2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 103162908
4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline
CID 105165499

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine (CID 82004546) is 2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(COCC(F)F)NCC)cc1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine?
The InChIKey is AHVBKAYODWEPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-3-5-12-6-8-13(9-7-12)14(18-4-2)10-19-11-15(16)17/h6-9,14-15,18H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine?
2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine has a molecular weight of 271.35 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 82004546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).