1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol

C19H27F3N2O — CID 59701297

IUPAC1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
SMILESN[C@H]1CCN(CC(c2cccc(C(F)(F)F)c2)C2(O)CCCCC2)C1
InChIInChI=1S/C19H27F3N2O/c20-19(21,22)15-6-4-5-14(11-15)17(13-24-10-7-16(23)12-24)18(25)8-2-1-3-9-18/h4-6,11,16-17,25H,1-3,7-10,12-13,23H2/t16-,17?/m0/s1
InChIKeyIEXBVULLLOHJQX-BHWOMJMDSA-N
MW356.43 g/mol
LogP3.52
Rot. Bonds4

About 1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol

1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol (PubChem CID 59701297) has the molecular formula C19H27F3N2O and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
PubChem CID59701297
Molecular FormulaC19H27F3N2O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC Name1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
SMILESN[C@H]1CCN(CC(c2cccc(C(F)(F)F)c2)C2(O)CCCCC2)C1
InChIInChI=1S/C19H27F3N2O/c20-19(21,22)15-6-4-5-14(11-15)17(13-24-10-7-16(23)12-24)18(25)8-2-1-3-9-18/h4-6,11,16-17,25H,1-3,7-10,12-13,23H2/t16-,17?/m0/s1
InChIKeyIEXBVULLLOHJQX-BHWOMJMDSA-N
XLogP3.52
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
CID 59701187
1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
CID 11179494
2-[(3R)-3-aminopyrrolidin-1-yl]-1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
CID 142686174
1-[2-[3-(2-fluoropropan-2-yl)phenyl]-2-(1-methylcyclohexyl)ethyl]-3-methylpyrrolidine;methanamine
CID 143036677
1-[1-(3-chlorophenyl)-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]ethyl]cyclohexan-1-ol
CID 59701265
1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol
CID 103452078
1-[(1S)-2-[4-(methylamino)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
CID 68853169
1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
CID 142686187
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905166
2-(3-ethylpyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115688548
1-[(1S)-2-[(3R)-3-ethyl-4-methylpiperazin-1-yl]-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
CID 68853712
1-[2-[(4-fluorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;hydrochloride
CID 11718973

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol (CID 59701297) is 1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol is N[C@H]1CCN(CC(c2cccc(C(F)(F)F)c2)C2(O)CCCCC2)C1.
What is the InChIKey of 1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol?
The InChIKey is IEXBVULLLOHJQX-BHWOMJMDSA-N. The full InChI is InChI=1S/C19H27F3N2O/c20-19(21,22)15-6-4-5-14(11-15)17(13-24-10-7-16(23)12-24)18(25)8-2-1-3-9-18/h4-6,11,16-17,25H,1-3,7-10,12-13,23H2/t16-,17?/m0/s1.
What are the key properties of 1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol?
1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol has a molecular weight of 356.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol is sourced from PubChem (CID 59701297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).