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

C26H28F3NO2 — CID 46196190

IUPAC(2R)-2-amino-2-[6-(4-phenylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ccc2c(C(F)(F)F)c(OC3CCC(c4ccccc4)CC3)ccc2c1
InChIInChI=1S/C26H28F3NO2/c1-25(30,16-31)20-10-13-22-19(15-20)9-14-23(24(22)26(27,28)29)32-21-11-7-18(8-12-21)17-5-3-2-4-6-17/h2-6,9-10,13-15,18,21,31H,7-8,11-12,16,30H2,1H3/t18?,21?,25-/m0/s1
InChIKeyCYUCDEVTZLWAAL-JUWHTYBZSA-N
MW443.51 g/mol
LogP6.13
Rot. Bonds5

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

(2R)-2-amino-2-[6-(4-phenylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol (PubChem CID 46196190) has the molecular formula C26H28F3NO2 and a molecular weight of 443.51 g/mol. Its IUPAC name is (2R)-2-amino-2-[6-(4-phenylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[6-(4-phenylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
PubChem CID46196190
Molecular FormulaC26H28F3NO2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name(2R)-2-amino-2-[6-(4-phenylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ccc2c(C(F)(F)F)c(OC3CCC(c4ccccc4)CC3)ccc2c1
InChIInChI=1S/C26H28F3NO2/c1-25(30,16-31)20-10-13-22-19(15-20)9-14-23(24(22)26(27,28)29)32-21-11-7-18(8-12-21)17-5-3-2-4-6-17/h2-6,9-10,13-15,18,21,31H,7-8,11-12,16,30H2,1H3/t18?,21?,25-/m0/s1
InChIKeyCYUCDEVTZLWAAL-JUWHTYBZSA-N
XLogP6.13
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.51
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-8-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine
CID 130385251
(2R,3S)-8-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine
CID 134140856
2-({[2-(Benzyloxy)naphthalen-1-yl]methyl}amino)-1-phenylethanol
CID 4720258
[(1R,3S)-1-amino-3-[(6R)-6-[(4-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 124142138
1-[({2-[(4-Fluorobenzyl)oxy]-1-naphthyl}methyl)amino]-2-propanol
CID 4715869
2-(Cyclohexylamino)-1-[6-(trifluoromethoxy)phenanthren-9-yl]ethanol
CID 90668938
2-[[6-[(2-Methyl-3-phenylphenyl)methoxy]naphthalen-2-yl]methylamino]ethanol
CID 156011688
2-Amino-2-(4-((5-(3,4-dimethylphenyl)-4-(3-fluorophenyl)pentyl)oxy)phenethyl)propane-1,3-diol
CID 78319490
(2R,3S)-6-(oxan-4-yl)-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-benzo[h]chromen-3-amine
CID 166887969
1-[({2-[(2-Fluorobenzyl)oxy]-1-naphthyl}methyl)amino]-2-propanol
CID 4715842
2-[[2-[(4-Fluorophenyl)methoxy]naphthalen-1-yl]methylamino]-1-phenylethanol
CID 4721076
2-Amino-2-[3-[6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]propyl]propane-1,3-diol
CID 9935755

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[6-(4-phenylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[6-(4-phenylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol (CID 46196190) is (2R)-2-amino-2-[6-(4-phenylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[6-(4-phenylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[6-(4-phenylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol is C[C@](N)(CO)c1ccc2c(C(F)(F)F)c(OC3CCC(c4ccccc4)CC3)ccc2c1.
What is the InChIKey of (2R)-2-amino-2-[6-(4-phenylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
The InChIKey is CYUCDEVTZLWAAL-JUWHTYBZSA-N. The full InChI is InChI=1S/C26H28F3NO2/c1-25(30,16-31)20-10-13-22-19(15-20)9-14-23(24(22)26(27,28)29)32-21-11-7-18(8-12-21)17-5-3-2-4-6-17/h2-6,9-10,13-15,18,21,31H,7-8,11-12,16,30H2,1H3/t18?,21?,25-/m0/s1.
What are the key properties of (2R)-2-amino-2-[6-(4-phenylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
(2R)-2-amino-2-[6-(4-phenylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol has a molecular weight of 443.51 g/mol, XLogP of 6.13, 5 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-phenylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 46196190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).