3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine

C16H25F2NO — CID 103149707

IUPAC3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine
SMILESCCNC(CCOCC(F)F)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H25F2NO/c1-4-19-15(9-10-20-11-16(17)18)14-7-5-13(6-8-14)12(2)3/h5-8,12,15-16,19H,4,9-11H2,1-3H3
InChIKeyPJKDGFYZAAXEHE-UHFFFAOYSA-N
MW285.38 g/mol
LogP4.13
Rot. Bonds9

About 3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine

3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine (PubChem CID 103149707) has the molecular formula C16H25F2NO and a molecular weight of 285.38 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine
PubChem CID103149707
Molecular FormulaC16H25F2NO
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine
SMILESCCNC(CCOCC(F)F)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H25F2NO/c1-4-19-15(9-10-20-11-16(17)18)14-7-5-13(6-8-14)12(2)3/h5-8,12,15-16,19H,4,9-11H2,1-3H3
InChIKeyPJKDGFYZAAXEHE-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine
CID 103149543
N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
CID 105144803
N-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 63473833
5-[3-(2,2-difluoroethoxy)-1-(ethylamino)propyl]-1,3-dihydrobenzimidazol-2-one
CID 103207310
1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
CID 103149716
3-(2,2-difluoroethoxy)-N-ethyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 103149624
3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 105144753
1-(4-propan-2-ylphenyl)-3-propoxy-N-propylpropan-1-amine
CID 105144826
3-(2,2-difluoroethoxy)-N-ethyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 103207306
3-(2,2-difluoroethoxy)-N-ethyl-1-(5-ethylthiophen-2-yl)propan-1-amine
CID 103207287
2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 82004546
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 103149759

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine (CID 103149707) is 3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine is CCNC(CCOCC(F)F)c1ccc(C(C)C)cc1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine?
The InChIKey is PJKDGFYZAAXEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-4-19-15(9-10-20-11-16(17)18)14-7-5-13(6-8-14)12(2)3/h5-8,12,15-16,19H,4,9-11H2,1-3H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine?
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine is sourced from PubChem (CID 103149707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).