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

C13H19F2N — CID 82922237

IUPAC1-(2,5-difluorophenyl)-3-ethylpentan-1-amine
SMILESCCC(CC)CC(N)c1cc(F)ccc1F
InChIInChI=1S/C13H19F2N/c1-3-9(4-2)7-13(16)11-8-10(14)5-6-12(11)15/h5-6,8-9,13H,3-4,7,16H2,1-2H3
InChIKeyBNXHYMOZCOSYHR-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.79
Rot. Bonds5

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

1-(2,5-difluorophenyl)-3-ethylpentan-1-amine (PubChem CID 82922237) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-ethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-ethylpentan-1-amine
PubChem CID82922237
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(2,5-difluorophenyl)-3-ethylpentan-1-amine
SMILESCCC(CC)CC(N)c1cc(F)ccc1F
InChIInChI=1S/C13H19F2N/c1-3-9(4-2)7-13(16)11-8-10(14)5-6-12(11)15/h5-6,8-9,13H,3-4,7,16H2,1-2H3
InChIKeyBNXHYMOZCOSYHR-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 107520140
3-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentan-1-amine
CID 82923278
1-(2,5-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028229
3-ethyl-1-(2-fluoro-4-methylphenyl)pentan-1-amine
CID 105028201
1-(2-bromo-3,4-difluorophenyl)-3-ethylpentan-1-amine
CID 107538885
1-(2,5-difluorophenyl)-3-ethyl-N-propylpentan-1-amine
CID 82922427
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237
1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028050
1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine
CID 116933552
ethyl 5-amino-5-(2,5-difluorophenyl)-3-methylpentanoate
CID 62935187
1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 43197844
(1R)-1-(2,5-difluorophenyl)pentane-1,5-diamine
CID 171204239

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-ethylpentan-1-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-3-ethylpentan-1-amine (CID 82922237) is 1-(2,5-difluorophenyl)-3-ethylpentan-1-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-ethylpentan-1-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-ethylpentan-1-amine is CCC(CC)CC(N)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-ethylpentan-1-amine?
The InChIKey is BNXHYMOZCOSYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-3-9(4-2)7-13(16)11-8-10(14)5-6-12(11)15/h5-6,8-9,13H,3-4,7,16H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-ethylpentan-1-amine?
1-(2,5-difluorophenyl)-3-ethylpentan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-ethylpentan-1-amine is sourced from PubChem (CID 82922237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).