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

C15H23F2NO — CID 103149543

IUPAC3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine
SMILESCCNC(CCOCC(F)F)c1ccc(CC)cc1
InChIInChI=1S/C15H23F2NO/c1-3-12-5-7-13(8-6-12)14(18-4-2)9-10-19-11-15(16)17/h5-8,14-15,18H,3-4,9-11H2,1-2H3
InChIKeyHDKPLHFAORUNMQ-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.57
Rot. Bonds9

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

3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine (PubChem CID 103149543) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine
PubChem CID103149543
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine
SMILESCCNC(CCOCC(F)F)c1ccc(CC)cc1
InChIInChI=1S/C15H23F2NO/c1-3-12-5-7-13(8-6-12)14(18-4-2)9-10-19-11-15(16)17/h5-8,14-15,18H,3-4,9-11H2,1-2H3
InChIKeyHDKPLHFAORUNMQ-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

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-propan-2-ylphenyl)propan-1-amine
CID 103149707
N-ethyl-1-(4-ethylphenyl)-3-methoxypropan-1-amine
CID 62542901
2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 82004546
3-(2,2-difluoroethoxy)-N-ethyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 103149624
5-[3-(2,2-difluoroethoxy)-1-(ethylamino)propyl]-1,3-dihydrobenzimidazol-2-one
CID 103207310
3-(2,2-difluoroethoxy)-N-ethyl-1-(5-ethylthiophen-2-yl)propan-1-amine
CID 103207287
N-ethyl-1-(4-ethylphenyl)pentan-1-amine
CID 43491414
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 103149759
3-(2,2-difluoroethoxy)-N-ethyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 103207306
1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
CID 103149716
2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 106200984
N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
CID 105144803

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine (CID 103149543) is 3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine is CCNC(CCOCC(F)F)c1ccc(CC)cc1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine?
The InChIKey is HDKPLHFAORUNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-3-12-5-7-13(8-6-12)14(18-4-2)9-10-19-11-15(16)17/h5-8,14-15,18H,3-4,9-11H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine?
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine 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 3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine is sourced from PubChem (CID 103149543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).