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

C23H28F5NO2 — CID 46196119

IUPAC(2R)-2-amino-2-[6-[4-(1,1-difluoropropyl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
SMILESCCC(F)(F)C1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2C(F)(F)F)CC1
InChIInChI=1S/C23H28F5NO2/c1-3-22(24,25)15-5-8-17(9-6-15)31-19-11-4-14-12-16(21(2,29)13-30)7-10-18(14)20(19)23(26,27)28/h4,7,10-12,15,17,30H,3,5-6,8-9,13,29H2,1-2H3/t15?,17?,21-/m0/s1
InChIKeyPUMQJQDVJAYRFK-GRXDXKALSA-N
MW445.47 g/mol
LogP6.01
Rot. Bonds6

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

(2R)-2-amino-2-[6-[4-(1,1-difluoropropyl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol (PubChem CID 46196119) has the molecular formula C23H28F5NO2 and a molecular weight of 445.47 g/mol. Its IUPAC name is (2R)-2-amino-2-[6-[4-(1,1-difluoropropyl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[6-[4-(1,1-difluoropropyl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
PubChem CID46196119
Molecular FormulaC23H28F5NO2
Molecular Weight445.47 g/mol
Exact Mass445.20
IUPAC Name(2R)-2-amino-2-[6-[4-(1,1-difluoropropyl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
SMILESCCC(F)(F)C1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2C(F)(F)F)CC1
InChIInChI=1S/C23H28F5NO2/c1-3-22(24,25)15-5-8-17(9-6-15)31-19-11-4-14-12-16(21(2,29)13-30)7-10-18(14)20(19)23(26,27)28/h4,7,10-12,15,17,30H,3,5-6,8-9,13,29H2,1-2H3/t15?,17?,21-/m0/s1
InChIKeyPUMQJQDVJAYRFK-GRXDXKALSA-N
XLogP6.01
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.47
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-1-ethyl-2-methyl-1,3-dihydrobenzo[f]chromen-2-amine
CID 153061504
2-Methyl-1-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]propan-1-ol
CID 68295900
(Z)-2-((4-(1-Fluoro-2-(2-methyl-[1,1'-biphenyl]-3-yl)vinyl)-2-methoxy-5-trifluoromethylbenzyl)amino)-1-ethanol
CID 165015925
(E)-2-((4-(2-(2-Fluoromethyl-[1,1'-biphenyl]-3-yl)vinyl)-2-methoxy-5-trifluoromethylbenzyl)amino)-1-ethanol
CID 167005406
4-[[5-(Trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methylamino]butanoic acid
CID 164625279
[(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-[(3-methoxyphenyl)methoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 124142293
1-[({2-[(4-Fluorobenzyl)oxy]-1-naphthyl}methyl)amino]-2-propanol
CID 4715869
2-Amino-2-(4-((5-(3,4-dimethylphenyl)-4-(3-fluorophenyl)pentyl)oxy)phenethyl)propane-1,3-diol
CID 78319490
1-[({2-[(2-Fluorobenzyl)oxy]-1-naphthyl}methyl)amino]-2-propanol
CID 4715842
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-(1,1-difluoropropyl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[6-[4-(1,1-difluoropropyl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol (CID 46196119) is (2R)-2-amino-2-[6-[4-(1,1-difluoropropyl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[6-[4-(1,1-difluoropropyl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[6-[4-(1,1-difluoropropyl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol is CCC(F)(F)C1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2C(F)(F)F)CC1.
What is the InChIKey of (2R)-2-amino-2-[6-[4-(1,1-difluoropropyl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
The InChIKey is PUMQJQDVJAYRFK-GRXDXKALSA-N. The full InChI is InChI=1S/C23H28F5NO2/c1-3-22(24,25)15-5-8-17(9-6-15)31-19-11-4-14-12-16(21(2,29)13-30)7-10-18(14)20(19)23(26,27)28/h4,7,10-12,15,17,30H,3,5-6,8-9,13,29H2,1-2H3/t15?,17?,21-/m0/s1.
What are the key properties of (2R)-2-amino-2-[6-[4-(1,1-difluoropropyl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
(2R)-2-amino-2-[6-[4-(1,1-difluoropropyl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol has a molecular weight of 445.47 g/mol, XLogP of 6.01, 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-(1,1-difluoropropyl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 46196119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).