(1R)-2-(2,5-difluorophenyl)-1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]ethanamine

C18H24F4N2 — CID 53321496

IUPAC(1R)-2-(2,5-difluorophenyl)-1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]ethanamine
SMILESN[C@H](Cc1cc(F)ccc1F)C1CCC(N2CCC(F)(F)C2)CC1
InChIInChI=1S/C18H24F4N2/c19-14-3-6-16(20)13(9-14)10-17(23)12-1-4-15(5-2-12)24-8-7-18(21,22)11-24/h3,6,9,12,15,17H,1-2,4-5,7-8,10-11,23H2/t12?,15?,17-/m1/s1
InChIKeyGBJJZFBVFIXPDI-MWHAMWOXSA-N
MW344.40 g/mol
LogP3.73
Rot. Bonds4

About (1R)-2-(2,5-difluorophenyl)-1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]ethanamine

(1R)-2-(2,5-difluorophenyl)-1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]ethanamine (PubChem CID 53321496) has the molecular formula C18H24F4N2 and a molecular weight of 344.40 g/mol. Its IUPAC name is (1R)-2-(2,5-difluorophenyl)-1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name(1R)-2-(2,5-difluorophenyl)-1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]ethanamine
PubChem CID53321496
Molecular FormulaC18H24F4N2
Molecular Weight344.40 g/mol
Exact Mass344.19
IUPAC Name(1R)-2-(2,5-difluorophenyl)-1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]ethanamine
SMILESN[C@H](Cc1cc(F)ccc1F)C1CCC(N2CCC(F)(F)C2)CC1
InChIInChI=1S/C18H24F4N2/c19-14-3-6-16(20)13(9-14)10-17(23)12-1-4-15(5-2-12)24-8-7-18(21,22)11-24/h3,6,9,12,15,17H,1-2,4-5,7-8,10-11,23H2/t12?,15?,17-/m1/s1
InChIKeyGBJJZFBVFIXPDI-MWHAMWOXSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(Diphenylmethyl)pyrrolidine
CID 2734053
[1-Methyl-2-(3-trifluoromethyl-phenyl)-ethyl]-(3-phenyl-propyl)-amine
CID 5221975
(R)-1-(piperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine
CID 44592507
2-Diphenylmethylpyrrolidine, (R)-
CID 16217114
(2R,5R)-Di-(2-phenethyl)-pyrrolidine
CID 11023491
N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethanamine
CID 11111451
cis-2,5-Di-(2-phenethyl)-pyrrolidine
CID 15831905
(2S,5S)-di-(2-phenethyl)-pyrrolidine
CID 17756666
[(1R)-1-(cyclohexylmethyl)-2-(methylamino)ethyl]-[(2S)-4-methyl-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]pentyl]amine
CID 24792600
(2S)-N2-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-phenylpropane-1,2-diamine
CID 44143131
(3R,8R)-2,3-Bis-(4-fluoro-phenyl)-8-aza-bicyclo[3.2.1]octane
CID 44341118
cis-2,5-Di(2-benzyl)-pyrrolidine
CID 44598295

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2,5-difluorophenyl)-1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]ethanamine?
The IUPAC name of (1R)-2-(2,5-difluorophenyl)-1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]ethanamine (CID 53321496) is (1R)-2-(2,5-difluorophenyl)-1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]ethanamine.
What is the SMILES notation for (1R)-2-(2,5-difluorophenyl)-1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]ethanamine?
The canonical SMILES for (1R)-2-(2,5-difluorophenyl)-1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]ethanamine is N[C@H](Cc1cc(F)ccc1F)C1CCC(N2CCC(F)(F)C2)CC1.
What is the InChIKey of (1R)-2-(2,5-difluorophenyl)-1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]ethanamine?
The InChIKey is GBJJZFBVFIXPDI-MWHAMWOXSA-N. The full InChI is InChI=1S/C18H24F4N2/c19-14-3-6-16(20)13(9-14)10-17(23)12-1-4-15(5-2-12)24-8-7-18(21,22)11-24/h3,6,9,12,15,17H,1-2,4-5,7-8,10-11,23H2/t12?,15?,17-/m1/s1.
What are the key properties of (1R)-2-(2,5-difluorophenyl)-1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]ethanamine?
(1R)-2-(2,5-difluorophenyl)-1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]ethanamine has a molecular weight of 344.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2,5-difluorophenyl)-1-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]ethanamine is sourced from PubChem (CID 53321496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).