2-(2,3-difluorophenyl)-N-ethenylpentan-1-amine;ethane

C15H23F2N — CID 176658999

IUPAC2-(2,3-difluorophenyl)-N-ethenylpentan-1-amine;ethane
SMILESC=CNCC(CCC)c1cccc(F)c1F.CC
InChIInChI=1S/C13H17F2N.C2H6/c1-3-6-10(9-16-4-2)11-7-5-8-12(14)13(11)15;1-2/h4-5,7-8,10,16H,2-3,6,9H2,1H3;1-2H3
InChIKeyDTYZLYDUGAJFGY-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.61
Rot. Bonds6

About 2-(2,3-difluorophenyl)-N-ethenylpentan-1-amine;ethane

2-(2,3-difluorophenyl)-N-ethenylpentan-1-amine;ethane (PubChem CID 176658999) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-ethenylpentan-1-amine;ethane.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-ethenylpentan-1-amine;ethane
PubChem CID176658999
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name2-(2,3-difluorophenyl)-N-ethenylpentan-1-amine;ethane
SMILESC=CNCC(CCC)c1cccc(F)c1F.CC
InChIInChI=1S/C13H17F2N.C2H6/c1-3-6-10(9-16-4-2)11-7-5-8-12(14)13(11)15;1-2/h4-5,7-8,10,16H,2-3,6,9H2,1H3;1-2H3
InChIKeyDTYZLYDUGAJFGY-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 83925513
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1-(2,3-difluorophenyl)-N-methylpent-4-en-1-amine
CID 104987321
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CID 104986798
N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
2-(2,3-difluorophenyl)-N-propylhexan-3-amine
CID 114059600
(1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171204130
2,3-difluoro-N-pentan-2-ylaniline
CID 61074639
1-(2,3-difluorophenyl)pentylhydrazine
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CID 171169482

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-ethenylpentan-1-amine;ethane?
The IUPAC name of 2-(2,3-difluorophenyl)-N-ethenylpentan-1-amine;ethane (CID 176658999) is 2-(2,3-difluorophenyl)-N-ethenylpentan-1-amine;ethane.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-ethenylpentan-1-amine;ethane?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-ethenylpentan-1-amine;ethane is C=CNCC(CCC)c1cccc(F)c1F.CC.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-ethenylpentan-1-amine;ethane?
The InChIKey is DTYZLYDUGAJFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N.C2H6/c1-3-6-10(9-16-4-2)11-7-5-8-12(14)13(11)15;1-2/h4-5,7-8,10,16H,2-3,6,9H2,1H3;1-2H3.
What are the key properties of 2-(2,3-difluorophenyl)-N-ethenylpentan-1-amine;ethane?
2-(2,3-difluorophenyl)-N-ethenylpentan-1-amine;ethane has a molecular weight of 255.35 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-ethenylpentan-1-amine;ethane is sourced from PubChem (CID 176658999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).