1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine

C17H27F2NO — CID 116721623

IUPAC1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(F)ccc1F)C(OCC)C(C)C
InChIInChI=1S/C17H27F2NO/c1-5-9-20-16(17(12(3)4)21-6-2)11-13-10-14(18)7-8-15(13)19/h7-8,10,12,16-17,20H,5-6,9,11H2,1-4H3
InChIKeyFCCOYEVXUIEACK-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.94
Rot. Bonds9

About 1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine

1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine (PubChem CID 116721623) has the molecular formula C17H27F2NO and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
PubChem CID116721623
Molecular FormulaC17H27F2NO
Molecular Weight299.40 g/mol
Exact Mass299.21
IUPAC Name1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(F)ccc1F)C(OCC)C(C)C
InChIInChI=1S/C17H27F2NO/c1-5-9-20-16(17(12(3)4)21-6-2)11-13-10-14(18)7-8-15(13)19/h7-8,10,12,16-17,20H,5-6,9,11H2,1-4H3
InChIKeyFCCOYEVXUIEACK-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721742
3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114348360
1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 105373704
1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine
CID 116716823
1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115810544
1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721756
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine
CID 114348350
3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116721758
[1-(2,5-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271314
[1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine
CID 105270973
N-[1-(2,5-difluorophenyl)propan-2-yl]butan-1-amine
CID 82262467
3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine
CID 79495766

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine (CID 116721623) is 1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1cc(F)ccc1F)C(OCC)C(C)C.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine?
The InChIKey is FCCOYEVXUIEACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2NO/c1-5-9-20-16(17(12(3)4)21-6-2)11-13-10-14(18)7-8-15(13)19/h7-8,10,12,16-17,20H,5-6,9,11H2,1-4H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine?
1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine has a molecular weight of 299.40 g/mol, XLogP of 3.94, 9 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-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 116721623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).