(2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol

C25H34F3NO2 — CID 46196191

IUPAC(2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
SMILESCCC(C)(C)C1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2C(F)(F)F)CC1
InChIInChI=1S/C25H34F3NO2/c1-5-23(2,3)17-7-10-19(11-8-17)31-21-13-6-16-14-18(24(4,29)15-30)9-12-20(16)22(21)25(26,27)28/h6,9,12-14,17,19,30H,5,7-8,10-11,15,29H2,1-4H3/t17?,19?,24-/m0/s1
InChIKeyABHMHEDZJSLJAB-FJDUUPPCSA-N
MW437.55 g/mol
LogP6.40
Rot. Bonds6

About (2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol

(2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol (PubChem CID 46196191) has the molecular formula C25H34F3NO2 and a molecular weight of 437.55 g/mol. Its IUPAC name is (2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
PubChem CID46196191
Molecular FormulaC25H34F3NO2
Molecular Weight437.55 g/mol
Exact Mass437.25
IUPAC Name(2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
SMILESCCC(C)(C)C1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2C(F)(F)F)CC1
InChIInChI=1S/C25H34F3NO2/c1-5-23(2,3)17-7-10-19(11-8-17)31-21-13-6-16-14-18(24(4,29)15-30)9-12-20(16)22(21)25(26,27)28/h6,9,12-14,17,19,30H,5,7-8,10-11,15,29H2,1-4H3/t17?,19?,24-/m0/s1
InChIKeyABHMHEDZJSLJAB-FJDUUPPCSA-N
XLogP6.40
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.55
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol (CID 46196191) is (2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol is CCC(C)(C)C1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2C(F)(F)F)CC1.
What is the InChIKey of (2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
The InChIKey is ABHMHEDZJSLJAB-FJDUUPPCSA-N. The full InChI is InChI=1S/C25H34F3NO2/c1-5-23(2,3)17-7-10-19(11-8-17)31-21-13-6-16-14-18(24(4,29)15-30)9-12-20(16)22(21)25(26,27)28/h6,9,12-14,17,19,30H,5,7-8,10-11,15,29H2,1-4H3/t17?,19?,24-/m0/s1.
What are the key properties of (2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
(2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol has a molecular weight of 437.55 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[6-[4-(2-methylbutan-2-yl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 46196191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).