2-(2,4-difluorophenyl)-N-ethyl-2-propylpentan-1-amine

C16H25F2N — CID 64558725

IUPAC2-(2,4-difluorophenyl)-N-ethyl-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCC)c1ccc(F)cc1F
InChIInChI=1S/C16H25F2N/c1-4-9-16(10-5-2,12-19-6-3)14-8-7-13(17)11-15(14)18/h7-8,11,19H,4-6,9-10,12H2,1-3H3
InChIKeyIRWFARJFERNNAY-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.41
Rot. Bonds8

About 2-(2,4-difluorophenyl)-N-ethyl-2-propylpentan-1-amine

2-(2,4-difluorophenyl)-N-ethyl-2-propylpentan-1-amine (PubChem CID 64558725) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-ethyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-ethyl-2-propylpentan-1-amine
PubChem CID64558725
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-(2,4-difluorophenyl)-N-ethyl-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCC)c1ccc(F)cc1F
InChIInChI=1S/C16H25F2N/c1-4-9-16(10-5-2,12-19-6-3)14-8-7-13(17)11-15(14)18/h7-8,11,19H,4-6,9-10,12H2,1-3H3
InChIKeyIRWFARJFERNNAY-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409
2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine
CID 63511272
N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine
CID 115226390
3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627540
1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136355
2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine
CID 105425208
2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 82973789
2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 105396212
N-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine
CID 63511266
3-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 79838092
4-(2,5-difluorophenyl)heptan-4-ol
CID 114866152

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-ethyl-2-propylpentan-1-amine?
The IUPAC name of 2-(2,4-difluorophenyl)-N-ethyl-2-propylpentan-1-amine (CID 64558725) is 2-(2,4-difluorophenyl)-N-ethyl-2-propylpentan-1-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-ethyl-2-propylpentan-1-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-ethyl-2-propylpentan-1-amine is CCCC(CCC)(CNCC)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-ethyl-2-propylpentan-1-amine?
The InChIKey is IRWFARJFERNNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-4-9-16(10-5-2,12-19-6-3)14-8-7-13(17)11-15(14)18/h7-8,11,19H,4-6,9-10,12H2,1-3H3.
What are the key properties of 2-(2,4-difluorophenyl)-N-ethyl-2-propylpentan-1-amine?
2-(2,4-difluorophenyl)-N-ethyl-2-propylpentan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-ethyl-2-propylpentan-1-amine is sourced from PubChem (CID 64558725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).