(2R)-2-amino-2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol

C20H24F3NO2 — CID 46196225

IUPAC(2R)-2-amino-2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ccc2cc(OC3CCC(C(F)(F)F)CC3)ccc2c1
InChIInChI=1S/C20H24F3NO2/c1-19(24,12-25)16-4-2-14-11-18(7-3-13(14)10-16)26-17-8-5-15(6-9-17)20(21,22)23/h2-4,7,10-11,15,17,25H,5-6,8-9,12,24H2,1H3/t15?,17?,19-/m0/s1
InChIKeyZSVGUBRVVLVCDT-KVWWFHCMSA-N
MW367.41 g/mol
LogP4.51
Rot. Bonds4

About (2R)-2-amino-2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol

(2R)-2-amino-2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol (PubChem CID 46196225) has the molecular formula C20H24F3NO2 and a molecular weight of 367.41 g/mol. Its IUPAC name is (2R)-2-amino-2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol
PubChem CID46196225
Molecular FormulaC20H24F3NO2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name(2R)-2-amino-2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ccc2cc(OC3CCC(C(F)(F)F)CC3)ccc2c1
InChIInChI=1S/C20H24F3NO2/c1-19(24,12-25)16-4-2-14-11-18(7-3-13(14)10-16)26-17-8-5-15(6-9-17)20(21,22)23/h2-4,7,10-11,15,17,25H,5-6,8-9,12,24H2,1H3/t15?,17?,19-/m0/s1
InChIKeyZSVGUBRVVLVCDT-KVWWFHCMSA-N
XLogP4.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,3S)-1-amino-3-[(6S)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 118877404
[(1R,3S)-1-amino-3-[(6R)-6-[2-(3-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 118877582
[(1R,3S)-1-amino-3-[(6S)-6-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 162643226
[(1R,3S)-1-amino-3-[6-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 162665086
[(1R,3S)-1-amino-3-[6-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 162667046
[(1R,3S)-1-amino-3-[(6R)-6-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 162670374
Cyclohexyl(6-ethoxynaphthalen-2-yl)methanol
CID 608459
(6-Benzyloxy-2-naphthyl)-2-aminopropane
CID 44590780
2-Methyl-1-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]propan-1-ol
CID 68295900
2-Amino-2-[2-[4-(4-butoxy-2-methylphenyl)phenyl]ethyl]propane-1,3-diol
CID 11660437
[(1R,3S)-1-amino-3-[(6S)-6-[(3-methoxyphenyl)methoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 124142131
[(1R,3S)-1-amino-3-[(6R)-6-[(4-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 124142138

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol (CID 46196225) is (2R)-2-amino-2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol is C[C@](N)(CO)c1ccc2cc(OC3CCC(C(F)(F)F)CC3)ccc2c1.
What is the InChIKey of (2R)-2-amino-2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol?
The InChIKey is ZSVGUBRVVLVCDT-KVWWFHCMSA-N. The full InChI is InChI=1S/C20H24F3NO2/c1-19(24,12-25)16-4-2-14-11-18(7-3-13(14)10-16)26-17-8-5-15(6-9-17)20(21,22)23/h2-4,7,10-11,15,17,25H,5-6,8-9,12,24H2,1H3/t15?,17?,19-/m0/s1.
What are the key properties of (2R)-2-amino-2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol?
(2R)-2-amino-2-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol has a molecular weight of 367.41 g/mol, XLogP of 4.51, 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-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 46196225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).