1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine

C15H23F2NO — CID 116716823

IUPAC1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine
SMILESCCNC(Cc1cc(F)ccc1F)C(CC)OCC
InChIInChI=1S/C15H23F2NO/c1-4-15(19-6-3)14(18-5-2)10-11-9-12(16)7-8-13(11)17/h7-9,14-15,18H,4-6,10H2,1-3H3
InChIKeyTZXHQLZBUDTLBY-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.30
Rot. Bonds8

About 1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine

1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine (PubChem CID 116716823) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine
PubChem CID116716823
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine
SMILESCCNC(Cc1cc(F)ccc1F)C(CC)OCC
InChIInChI=1S/C15H23F2NO/c1-4-15(19-6-3)14(18-5-2)10-11-9-12(16)7-8-13(11)17/h7-9,14-15,18H,4-6,10H2,1-3H3
InChIKeyTZXHQLZBUDTLBY-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine
CID 105270973
1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115810544
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine
CID 114348350
[1-(2,5-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271314
3-(2,4-difluorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79496290
1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721623
1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114348126
3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine
CID 79495766
1-(2,5-difluorophenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine
CID 116726754
3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114348360
1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717956
1-(5-bromo-2-fluorophenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725728

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine (CID 116716823) is 1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine is CCNC(Cc1cc(F)ccc1F)C(CC)OCC.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine?
The InChIKey is TZXHQLZBUDTLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-4-15(19-6-3)14(18-5-2)10-11-9-12(16)7-8-13(11)17/h7-9,14-15,18H,4-6,10H2,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine?
1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine has a molecular weight of 271.35 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine is sourced from PubChem (CID 116716823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).