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

C19H27F3N2O — CID 142686174

IUPAC2-[(3R)-3-aminopyrrolidin-1-yl]-1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
SMILESCC(c1cccc(C(F)(F)F)c1)C1(O)CCCCC1N1CC[C@@H](N)C1
InChIInChI=1S/C19H27F3N2O/c1-13(14-5-4-6-15(11-14)19(20,21)22)18(25)9-3-2-7-17(18)24-10-8-16(23)12-24/h4-6,11,13,16-17,25H,2-3,7-10,12,23H2,1H3/t13?,16-,17?,18?/m1/s1
InChIKeyQBQIDTNXGVFXAH-MFWMIFASSA-N
MW356.43 g/mol
LogP3.52
Rot. Bonds3

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

2-[(3R)-3-aminopyrrolidin-1-yl]-1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol (PubChem CID 142686174) has the molecular formula C19H27F3N2O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[(3R)-3-aminopyrrolidin-1-yl]-1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3R)-3-aminopyrrolidin-1-yl]-1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
PubChem CID142686174
Molecular FormulaC19H27F3N2O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC Name2-[(3R)-3-aminopyrrolidin-1-yl]-1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
SMILESCC(c1cccc(C(F)(F)F)c1)C1(O)CCCCC1N1CC[C@@H](N)C1
InChIInChI=1S/C19H27F3N2O/c1-13(14-5-4-6-15(11-14)19(20,21)22)18(25)9-3-2-7-17(18)24-10-8-16(23)12-24/h4-6,11,13,16-17,25H,2-3,7-10,12,23H2,1H3/t13?,16-,17?,18?/m1/s1
InChIKeyQBQIDTNXGVFXAH-MFWMIFASSA-N
XLogP3.52
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 2-[(3R)-3-aminopyrrolidin-1-yl]-1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol with MolForge

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Related Compounds

2-[(3S)-3-(dimethylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 142686132
1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
CID 59701297
1-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
CID 59701187
2-[(3S)-3-(methylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 86600412
1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
CID 142686187
(2R)-1-[(3R)-3-aminopiperidin-1-yl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 124593410
1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methylcyclohexan-1-ol
CID 103452414
(2S)-2-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octane
CID 141223568
[(3S)-1-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]carbamic acid
CID 68853149
2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 82085380
1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol
CID 103452078
1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917520

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol?
The IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol (CID 142686174) is 2-[(3R)-3-aminopyrrolidin-1-yl]-1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3R)-3-aminopyrrolidin-1-yl]-1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(3R)-3-aminopyrrolidin-1-yl]-1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol is CC(c1cccc(C(F)(F)F)c1)C1(O)CCCCC1N1CC[C@@H](N)C1.
What is the InChIKey of 2-[(3R)-3-aminopyrrolidin-1-yl]-1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol?
The InChIKey is QBQIDTNXGVFXAH-MFWMIFASSA-N. The full InChI is InChI=1S/C19H27F3N2O/c1-13(14-5-4-6-15(11-14)19(20,21)22)18(25)9-3-2-7-17(18)24-10-8-16(23)12-24/h4-6,11,13,16-17,25H,2-3,7-10,12,23H2,1H3/t13?,16-,17?,18?/m1/s1.
What are the key properties of 2-[(3R)-3-aminopyrrolidin-1-yl]-1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol?
2-[(3R)-3-aminopyrrolidin-1-yl]-1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol has a molecular weight of 356.43 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopyrrolidin-1-yl]-1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol is sourced from PubChem (CID 142686174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).