(5R)-6-amino-5-[(6R)-6-[[3-(trifluoromethoxy)phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol

C24H30F3NO3 — CID 170025738

IUPAC(5R)-6-amino-5-[(6R)-6-[[3-(trifluoromethoxy)phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESNC[C@H](CCCCO)c1ccc2c(c1)CC[C@@H](COc1cccc(OC(F)(F)F)c1)C2
InChIInChI=1S/C24H30F3NO3/c25-24(26,27)31-23-6-3-5-22(14-23)30-16-17-7-8-19-13-20(10-9-18(19)12-17)21(15-28)4-1-2-11-29/h3,5-6,9-10,13-14,17,21,29H,1-2,4,7-8,11-12,15-16,28H2/t17-,21+/m1/s1
InChIKeyXHDGGUSNJDXHOD-UTKZUKDTSA-N
MW437.50 g/mol
LogP4.97
Rot. Bonds10

About (5R)-6-amino-5-[(6R)-6-[[3-(trifluoromethoxy)phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol

(5R)-6-amino-5-[(6R)-6-[[3-(trifluoromethoxy)phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (PubChem CID 170025738) has the molecular formula C24H30F3NO3 and a molecular weight of 437.50 g/mol. Its IUPAC name is (5R)-6-amino-5-[(6R)-6-[[3-(trifluoromethoxy)phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.

Molecular Properties

Compound Name(5R)-6-amino-5-[(6R)-6-[[3-(trifluoromethoxy)phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
PubChem CID170025738
Molecular FormulaC24H30F3NO3
Molecular Weight437.50 g/mol
Exact Mass437.22
IUPAC Name(5R)-6-amino-5-[(6R)-6-[[3-(trifluoromethoxy)phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESNC[C@H](CCCCO)c1ccc2c(c1)CC[C@@H](COc1cccc(OC(F)(F)F)c1)C2
InChIInChI=1S/C24H30F3NO3/c25-24(26,27)31-23-6-3-5-22(14-23)30-16-17-7-8-19-13-20(10-9-18(19)12-17)21(15-28)4-1-2-11-29/h3,5-6,9-10,13-14,17,21,29H,1-2,4,7-8,11-12,15-16,28H2/t17-,21+/m1/s1
InChIKeyXHDGGUSNJDXHOD-UTKZUKDTSA-N
XLogP4.97
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(1R,3S)-1-amino-3-[(6R)-6-[[3-(trifluoromethoxy)phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate
CID 131953637
S1P1 agonist 4
CID 118877321
[(1R,3S)-1-amino-3-[(6S)-6-[(3-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 118877425
2-Amino-2-[3-[4-(3-phenylmethoxyphenoxy)-2-(trifluoromethyl)phenyl]propyl]propane-1,3-diol
CID 10299192
7-Ethoxy-2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]chromene;2-phenylethanamine;hydrochloride
CID 20570542
2-Amino-5-[4-(3-phenylmethoxyphenoxy)-2-(trifluoromethyl)phenyl]hexane-1,3-diol
CID 22283542
2-Amino-5-[4-[3-phenylmethoxy-5-(trifluoromethyl)phenoxy]phenyl]hexane-1,3-diol
CID 22283562
(2R)-2-amino-2-[6-[3-(trifluoromethoxy)phenoxy]naphthalen-2-yl]propan-1-ol
CID 46196316
N-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenoxy]-1-(oxetan-3-ylidene)methanamine
CID 57209886
[2-(3,5-Dimethoxyphenyl)-4-(trifluoromethyl)phenyl]methanamine
CID 58873795
2-Amino-2-[2-[4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propoxy]-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol
CID 59407541
2-Amino-1-[5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]ethanol
CID 66717095

Frequently Asked Questions

What is the IUPAC name of (5R)-6-amino-5-[(6R)-6-[[3-(trifluoromethoxy)phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The IUPAC name of (5R)-6-amino-5-[(6R)-6-[[3-(trifluoromethoxy)phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (CID 170025738) is (5R)-6-amino-5-[(6R)-6-[[3-(trifluoromethoxy)phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.
What is the SMILES notation for (5R)-6-amino-5-[(6R)-6-[[3-(trifluoromethoxy)phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The canonical SMILES for (5R)-6-amino-5-[(6R)-6-[[3-(trifluoromethoxy)phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is NC[C@H](CCCCO)c1ccc2c(c1)CC[C@@H](COc1cccc(OC(F)(F)F)c1)C2.
What is the InChIKey of (5R)-6-amino-5-[(6R)-6-[[3-(trifluoromethoxy)phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The InChIKey is XHDGGUSNJDXHOD-UTKZUKDTSA-N. The full InChI is InChI=1S/C24H30F3NO3/c25-24(26,27)31-23-6-3-5-22(14-23)30-16-17-7-8-19-13-20(10-9-18(19)12-17)21(15-28)4-1-2-11-29/h3,5-6,9-10,13-14,17,21,29H,1-2,4,7-8,11-12,15-16,28H2/t17-,21+/m1/s1.
What are the key properties of (5R)-6-amino-5-[(6R)-6-[[3-(trifluoromethoxy)phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
(5R)-6-amino-5-[(6R)-6-[[3-(trifluoromethoxy)phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol has a molecular weight of 437.50 g/mol, XLogP of 4.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-amino-5-[(6R)-6-[[3-(trifluoromethoxy)phenoxy]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is sourced from PubChem (CID 170025738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).