N-(2,2-difluoro-2-phenylethyl)-2-ethylhexan-1-amine

C16H25F2N — CID 107820052

IUPACN-(2,2-difluoro-2-phenylethyl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCC(F)(F)c1ccccc1
InChIInChI=1S/C16H25F2N/c1-3-5-9-14(4-2)12-19-13-16(17,18)15-10-7-6-8-11-15/h6-8,10-11,14,19H,3-5,9,12-13H2,1-2H3
InChIKeyQGNFJLHTCYKJLJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.58
Rot. Bonds9

About N-(2,2-difluoro-2-phenylethyl)-2-ethylhexan-1-amine

N-(2,2-difluoro-2-phenylethyl)-2-ethylhexan-1-amine (PubChem CID 107820052) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is N-(2,2-difluoro-2-phenylethyl)-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoro-2-phenylethyl)-2-ethylhexan-1-amine
PubChem CID107820052
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-(2,2-difluoro-2-phenylethyl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCC(F)(F)c1ccccc1
InChIInChI=1S/C16H25F2N/c1-3-5-9-14(4-2)12-19-13-16(17,18)15-10-7-6-8-11-15/h6-8,10-11,14,19H,3-5,9,12-13H2,1-2H3
InChIKeyQGNFJLHTCYKJLJ-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine
CID 116789342
(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
2-chloro-N-(2,2-difluoro-2-phenylethyl)butan-1-amine
CID 116790612
2-chloro-N-(2,2-difluoro-2-phenylethyl)-3-ethylpentan-1-amine
CID 106286047
2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine
CID 63420299
3-[(2,2-difluoro-2-phenylethyl)amino]butan-1-ol
CID 116789257
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
N,2-diethylhexan-1-amine
CID 14272988
2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine
CID 115518505
2-ethyl-N-[2-(3-fluorophenyl)ethyl]hexan-1-amine
CID 63488379
(2S)-2-ethyl-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 7036530
1,1'-biphenyl;3-ethyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)heptan-1-amine
CID 157464882

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-2-phenylethyl)-2-ethylhexan-1-amine?
The IUPAC name of N-(2,2-difluoro-2-phenylethyl)-2-ethylhexan-1-amine (CID 107820052) is N-(2,2-difluoro-2-phenylethyl)-2-ethylhexan-1-amine.
What is the SMILES notation for N-(2,2-difluoro-2-phenylethyl)-2-ethylhexan-1-amine?
The canonical SMILES for N-(2,2-difluoro-2-phenylethyl)-2-ethylhexan-1-amine is CCCCC(CC)CNCC(F)(F)c1ccccc1.
What is the InChIKey of N-(2,2-difluoro-2-phenylethyl)-2-ethylhexan-1-amine?
The InChIKey is QGNFJLHTCYKJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-3-5-9-14(4-2)12-19-13-16(17,18)15-10-7-6-8-11-15/h6-8,10-11,14,19H,3-5,9,12-13H2,1-2H3.
What are the key properties of N-(2,2-difluoro-2-phenylethyl)-2-ethylhexan-1-amine?
N-(2,2-difluoro-2-phenylethyl)-2-ethylhexan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-2-phenylethyl)-2-ethylhexan-1-amine is sourced from PubChem (CID 107820052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).