4-ethyl-2-(4-fluorophenyl)octan-2-amine

C16H26FN — CID 63408440

IUPAC4-ethyl-2-(4-fluorophenyl)octan-2-amine
SMILESCCCCC(CC)CC(C)(N)c1ccc(F)cc1
InChIInChI=1S/C16H26FN/c1-4-6-7-13(5-2)12-16(3,18)14-8-10-15(17)11-9-14/h8-11,13H,4-7,12,18H2,1-3H3
InChIKeyFNMMCQOGOPLBHQ-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.61
Rot. Bonds7

About 4-ethyl-2-(4-fluorophenyl)octan-2-amine

4-ethyl-2-(4-fluorophenyl)octan-2-amine (PubChem CID 63408440) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 4-ethyl-2-(4-fluorophenyl)octan-2-amine.

Molecular Properties

Compound Name4-ethyl-2-(4-fluorophenyl)octan-2-amine
PubChem CID63408440
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name4-ethyl-2-(4-fluorophenyl)octan-2-amine
SMILESCCCCC(CC)CC(C)(N)c1ccc(F)cc1
InChIInChI=1S/C16H26FN/c1-4-6-7-13(5-2)12-16(3,18)14-8-10-15(17)11-9-14/h8-11,13H,4-7,12,18H2,1-3H3
InChIKeyFNMMCQOGOPLBHQ-UHFFFAOYSA-N
XLogP4.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-2-(5-fluoro-2-pyridinyl)octan-2-amine
CID 83125502
4-ethyl-2-(2-methylphenyl)octan-2-amine
CID 63408267
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CID 21304853
3,5-diethylnonan-3-amine
CID 63408454
2-ethylhexyl 4-fluorobenzoate
CID 579252
1-tert-butyl-4-(2-ethylhexoxymethyl)benzene
CID 134220783
2,2-bis[(2S)-2-ethylhexyl]propane-1,3-diol
CID 23628776
3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine
CID 63414460
1-(2-ethylhexyl)-2,4-difluorobenzene;titanium
CID 174433926
2-(4-fluorophenyl)propan-2-amine
CID 13025665
2-(4-fluorophenyl)pent-4-en-2-amine
CID 130060488
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-fluorophenyl)octan-2-amine?
The IUPAC name of 4-ethyl-2-(4-fluorophenyl)octan-2-amine (CID 63408440) is 4-ethyl-2-(4-fluorophenyl)octan-2-amine.
What is the SMILES notation for 4-ethyl-2-(4-fluorophenyl)octan-2-amine?
The canonical SMILES for 4-ethyl-2-(4-fluorophenyl)octan-2-amine is CCCCC(CC)CC(C)(N)c1ccc(F)cc1.
What is the InChIKey of 4-ethyl-2-(4-fluorophenyl)octan-2-amine?
The InChIKey is FNMMCQOGOPLBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-4-6-7-13(5-2)12-16(3,18)14-8-10-15(17)11-9-14/h8-11,13H,4-7,12,18H2,1-3H3.
What are the key properties of 4-ethyl-2-(4-fluorophenyl)octan-2-amine?
4-ethyl-2-(4-fluorophenyl)octan-2-amine has a molecular weight of 251.39 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-fluorophenyl)octan-2-amine is sourced from PubChem (CID 63408440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).