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

C25H32F3NO2 — CID 46196244

IUPAC(2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ccc2c(C(F)(F)F)c(OC3CCC(C4CCCC4)CC3)ccc2c1
InChIInChI=1S/C25H32F3NO2/c1-24(29,15-30)19-9-12-21-18(14-19)8-13-22(23(21)25(26,27)28)31-20-10-6-17(7-11-20)16-4-2-3-5-16/h8-9,12-14,16-17,20,30H,2-7,10-11,15,29H2,1H3/t17?,20?,24-/m0/s1
InChIKeyCYJICJWCDPOWEC-KGGRFHARSA-N
MW435.53 g/mol
LogP6.15
Rot. Bonds5

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

(2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol (PubChem CID 46196244) has the molecular formula C25H32F3NO2 and a molecular weight of 435.53 g/mol. Its IUPAC name is (2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
PubChem CID46196244
Molecular FormulaC25H32F3NO2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name(2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ccc2c(C(F)(F)F)c(OC3CCC(C4CCCC4)CC3)ccc2c1
InChIInChI=1S/C25H32F3NO2/c1-24(29,15-30)19-9-12-21-18(14-19)8-13-22(23(21)25(26,27)28)31-20-10-6-17(7-11-20)16-4-2-3-5-16/h8-9,12-14,16-17,20,30H,2-7,10-11,15,29H2,1H3/t17?,20?,24-/m0/s1
InChIKeyCYJICJWCDPOWEC-KGGRFHARSA-N
XLogP6.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Udifitimod
CID 118877516
[(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-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 118877565
[(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
[(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
[(1R,3S)-1-amino-3-[(6R)-6-[(4-methoxyphenyl)methoxymethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 124142141
[(1R,3S)-1-amino-3-[(6R)-6-[(3-methoxyphenyl)methoxymethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 124142231

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol (CID 46196244) is (2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol is C[C@](N)(CO)c1ccc2c(C(F)(F)F)c(OC3CCC(C4CCCC4)CC3)ccc2c1.
What is the InChIKey of (2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
The InChIKey is CYJICJWCDPOWEC-KGGRFHARSA-N. The full InChI is InChI=1S/C25H32F3NO2/c1-24(29,15-30)19-9-12-21-18(14-19)8-13-22(23(21)25(26,27)28)31-20-10-6-17(7-11-20)16-4-2-3-5-16/h8-9,12-14,16-17,20,30H,2-7,10-11,15,29H2,1H3/t17?,20?,24-/m0/s1.
What are the key properties of (2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
(2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol has a molecular weight of 435.53 g/mol, XLogP of 6.15, 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-cyclopentylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 46196244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).