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

C24H32F3NO2 — CID 46196209

IUPAC(2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
SMILESCC(C)(C)C1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2C(F)(F)F)CC1
InChIInChI=1S/C24H32F3NO2/c1-22(2,3)16-6-9-18(10-7-16)30-20-12-5-15-13-17(23(4,28)14-29)8-11-19(15)21(20)24(25,26)27/h5,8,11-13,16,18,29H,6-7,9-10,14,28H2,1-4H3/t16?,18?,23-/m0/s1
InChIKeyIJAQRVYPJRKLGR-KOBHVQJXSA-N
MW423.52 g/mol
LogP6.01
Rot. Bonds4

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

(2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol (PubChem CID 46196209) has the molecular formula C24H32F3NO2 and a molecular weight of 423.52 g/mol. Its IUPAC name is (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
PubChem CID46196209
Molecular FormulaC24H32F3NO2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Name(2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
SMILESCC(C)(C)C1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2C(F)(F)F)CC1
InChIInChI=1S/C24H32F3NO2/c1-22(2,3)16-6-9-18(10-7-16)30-20-12-5-15-13-17(23(4,28)14-29)8-11-19(15)21(20)24(25,26)27/h5,8,11-13,16,18,29H,6-7,9-10,14,28H2,1-4H3/t16?,18?,23-/m0/s1
InChIKeyIJAQRVYPJRKLGR-KOBHVQJXSA-N
XLogP6.01
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol with MolForge

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Related Compounds

[(1R,3S)-1-amino-3-[(6R)-6-[(4-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 124142138
[(1R,3S)-1-amino-3-[(6R)-6-[(3-tert-butyl-4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 124142274
2-Amino-2-(4-((5-(3,4-dimethylphenyl)-4-(3-fluorophenyl)pentyl)oxy)phenethyl)propane-1,3-diol
CID 78319490
2-Amino-2-[3-[6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]propyl]propane-1,3-diol
CID 9935755
(2R)-2-amino-2-methyl-4-[3-(trifluoromethyl)-4-[3-[4-(trifluoromethyl)phenyl]propoxy]phenyl]butan-1-ol
CID 25124391
(2R)-2-amino-2-ethyl-4-[3-(trifluoromethyl)-4-[3-[4-(trifluoromethyl)phenyl]propoxy]phenyl]butan-1-ol
CID 25124721
(R)-2-amino-2-(6-(cis-4-butylcyclohexyloxy)-5-(trifluoromethyl)naphthalen-2-yl)propan-1-ol
CID 45375826
(R)-2-amino-2-(6-(trans-4-(1,1-difluoroethyl)cyclohexyloxy)-5-(trifluoromethyl)naphthalen-2-yl)propan-1-ol
CID 46196118
(2R)-2-amino-2-[6-[4-(1,1-difluoropropyl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
CID 46196119
(R)-2-Amino-2-[5-trifluoromethyl-6-(trans-4-trifluoromethyl-cyclohexyloxy)-naphthalen-2-yl]-propan-1-ol
CID 46196120
Phosphoric acid mono-{(R)-2-amino-2-[5-trifluoromethyl-6-(trans-4-trifluoromethyl-cyclohexyloxy)-naphthalen-2-yl]-propyl}ester
CID 46196121
[(2R)-2-amino-2-[6-(4-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propyl] dihydrogen phosphate
CID 46196155

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol (CID 46196209) is (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol is CC(C)(C)C1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2C(F)(F)F)CC1.
What is the InChIKey of (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
The InChIKey is IJAQRVYPJRKLGR-KOBHVQJXSA-N. The full InChI is InChI=1S/C24H32F3NO2/c1-22(2,3)16-6-9-18(10-7-16)30-20-12-5-15-13-17(23(4,28)14-29)8-11-19(15)21(20)24(25,26)27/h5,8,11-13,16,18,29H,6-7,9-10,14,28H2,1-4H3/t16?,18?,23-/m0/s1.
What are the key properties of (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
(2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol has a molecular weight of 423.52 g/mol, XLogP of 6.01, 4 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-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 46196209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).