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

C24H32F3NO2 — CID 45375826

IUPAC(2R)-2-amino-2-[6-(4-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
SMILESCCCCC1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2C(F)(F)F)CC1
InChIInChI=1S/C24H32F3NO2/c1-3-4-5-16-6-10-19(11-7-16)30-21-13-8-17-14-18(23(2,28)15-29)9-12-20(17)22(21)24(25,26)27/h8-9,12-14,16,19,29H,3-7,10-11,15,28H2,1-2H3/t16?,19?,23-/m0/s1
InChIKeyQDUPHSBWIWJVOS-RNNUUBKPSA-N
MW423.52 g/mol
LogP6.15
Rot. Bonds7

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

(2R)-2-amino-2-[6-(4-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol (PubChem CID 45375826) has the molecular formula C24H32F3NO2 and a molecular weight of 423.52 g/mol. Its IUPAC name is (2R)-2-amino-2-[6-(4-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[6-(4-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
PubChem CID45375826
Molecular FormulaC24H32F3NO2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Name(2R)-2-amino-2-[6-(4-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
SMILESCCCCC1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2C(F)(F)F)CC1
InChIInChI=1S/C24H32F3NO2/c1-3-4-5-16-6-10-19(11-7-16)30-21-13-8-17-14-18(23(2,28)15-29)9-12-20(17)22(21)24(25,26)27/h8-9,12-14,16,19,29H,3-7,10-11,15,28H2,1-2H3/t16?,19?,23-/m0/s1
InChIKeyQDUPHSBWIWJVOS-RNNUUBKPSA-N
XLogP6.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 56.15
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
[(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-tert-butyl-4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 124142274
[(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
N-[4-[4-[(4-butylphenyl)methoxy]naphthalen-1-yl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 162656277
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
2-Amino-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 19046995

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[6-(4-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[6-(4-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol (CID 45375826) is (2R)-2-amino-2-[6-(4-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[6-(4-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[6-(4-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol is CCCCC1CCC(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2C(F)(F)F)CC1.
What is the InChIKey of (2R)-2-amino-2-[6-(4-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
The InChIKey is QDUPHSBWIWJVOS-RNNUUBKPSA-N. The full InChI is InChI=1S/C24H32F3NO2/c1-3-4-5-16-6-10-19(11-7-16)30-21-13-8-17-14-18(23(2,28)15-29)9-12-20(17)22(21)24(25,26)27/h8-9,12-14,16,19,29H,3-7,10-11,15,28H2,1-2H3/t16?,19?,23-/m0/s1.
What are the key properties of (2R)-2-amino-2-[6-(4-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol?
(2R)-2-amino-2-[6-(4-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol has a molecular weight of 423.52 g/mol, XLogP of 6.15, 7 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-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 45375826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).