(1R)-5-amino-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol

C18H18F6N2O — CID 161139957

IUPAC(1R)-5-amino-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol
SMILESNCCCC[C@@H](O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1C(F)(F)F
InChIInChI=1S/C18H18F6N2O/c19-17(20,21)12-6-4-11(5-7-12)14-9-8-13(15(27)3-1-2-10-25)16(26-14)18(22,23)24/h4-9,15,27H,1-3,10,25H2/t15-/m1/s1
InChIKeyJENATYGIXKUNKG-OAHLLOKOSA-N
MW392.34 g/mol
LogP4.95
Rot. Bonds6

About (1R)-5-amino-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol

(1R)-5-amino-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol (PubChem CID 161139957) has the molecular formula C18H18F6N2O and a molecular weight of 392.34 g/mol. Its IUPAC name is (1R)-5-amino-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol.

Molecular Properties

Compound Name(1R)-5-amino-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol
PubChem CID161139957
Molecular FormulaC18H18F6N2O
Molecular Weight392.34 g/mol
Exact Mass392.13
IUPAC Name(1R)-5-amino-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol
SMILESNCCCC[C@@H](O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1C(F)(F)F
InChIInChI=1S/C18H18F6N2O/c19-17(20,21)12-6-4-11(5-7-12)14-9-8-13(15(27)3-1-2-10-25)16(26-14)18(22,23)24/h4-9,15,27H,1-3,10,25H2/t15-/m1/s1
InChIKeyJENATYGIXKUNKG-OAHLLOKOSA-N
XLogP4.95
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]nonan-1-ol
CID 162098581
(1S)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethane-1,2-diol
CID 142577533
(1R)-6-(4-benzhydrylpiperazin-1-yl)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]hexan-1-ol;sulfane
CID 159091652
(1R)-2-[2-[(2-aminoethylamino)methyl]cyclopenta-2,4-dien-1-yl]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol;cyclopenta-1,3-diene;iron(2+)
CID 154622013
(1S)-2-[2-[(1-methylcyclopent-3-en-1-yl)methylamino]ethylamino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol
CID 142577501
N-[2-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propyl]pentan-1-amine
CID 155055196
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171226925
4-amino-1-[3-(trifluoromethyl)-1,2-oxazol-4-yl]butan-1-ol
CID 82391870
(1S)-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]heptan-1-ol
CID 67344061
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171210222
(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171209520
1-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 59729411

Frequently Asked Questions

What is the IUPAC name of (1R)-5-amino-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol?
The IUPAC name of (1R)-5-amino-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol (CID 161139957) is (1R)-5-amino-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol.
What is the SMILES notation for (1R)-5-amino-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol?
The canonical SMILES for (1R)-5-amino-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol is NCCCC[C@@H](O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1C(F)(F)F.
What is the InChIKey of (1R)-5-amino-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol?
The InChIKey is JENATYGIXKUNKG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18F6N2O/c19-17(20,21)12-6-4-11(5-7-12)14-9-8-13(15(27)3-1-2-10-25)16(26-14)18(22,23)24/h4-9,15,27H,1-3,10,25H2/t15-/m1/s1.
What are the key properties of (1R)-5-amino-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol?
(1R)-5-amino-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol has a molecular weight of 392.34 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-amino-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]pentan-1-ol is sourced from PubChem (CID 161139957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).