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

C14H21F2N — CID 116789342

IUPACN-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine
SMILESCCC(CC)CNCC(F)(F)c1ccccc1
InChIInChI=1S/C14H21F2N/c1-3-12(4-2)10-17-11-14(15,16)13-8-6-5-7-9-13/h5-9,12,17H,3-4,10-11H2,1-2H3
InChIKeyPDFUMRYWLVYANI-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.80
Rot. Bonds7

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

N-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine (PubChem CID 116789342) has the molecular formula C14H21F2N and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine
PubChem CID116789342
Molecular FormulaC14H21F2N
Molecular Weight241.33 g/mol
Exact Mass241.16
IUPAC NameN-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine
SMILESCCC(CC)CNCC(F)(F)c1ccccc1
InChIInChI=1S/C14H21F2N/c1-3-12(4-2)10-17-11-14(15,16)13-8-6-5-7-9-13/h5-9,12,17H,3-4,10-11H2,1-2H3
InChIKeyPDFUMRYWLVYANI-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-difluoro-2-phenylethyl)-2-ethylhexan-1-amine
CID 107820052
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
3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol
CID 116789164
2,4-diethyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
CID 82926022
N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine
CID 116788792
N-(2,2-diphenylethyl)-2-ethylbutan-1-amine
CID 103603252
2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 116788992
(2,2-difluoro-2-phenylethyl)hydrazine
CID 116788671
N-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine
CID 116788817
3-[(2,2-difluoro-2-phenylethyl)amino]butan-1-ol
CID 116789257
2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol
CID 114332065

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine?
The IUPAC name of N-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine (CID 116789342) is N-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine.
What is the SMILES notation for N-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine?
The canonical SMILES for N-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine is CCC(CC)CNCC(F)(F)c1ccccc1.
What is the InChIKey of N-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine?
The InChIKey is PDFUMRYWLVYANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-3-12(4-2)10-17-11-14(15,16)13-8-6-5-7-9-13/h5-9,12,17H,3-4,10-11H2,1-2H3.
What are the key properties of N-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine?
N-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 3.80, 7 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-ethylbutan-1-amine is sourced from PubChem (CID 116789342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).