(1S,2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluorocyclohexyl)-3-(methylamino)propan-1-ol

C20H36FNO — CID 140698802

IUPAC(1S,2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluorocyclohexyl)-3-(methylamino)propan-1-ol
SMILESCNC[C@@H](C1CCC2CCCCC2C1)[C@H](O)C1CCCCC1F
InChIInChI=1S/C20H36FNO/c1-22-13-18(20(23)17-8-4-5-9-19(17)21)16-11-10-14-6-2-3-7-15(14)12-16/h14-20,22-23H,2-13H2,1H3/t14?,15?,16?,17?,18-,19?,20+/m0/s1
InChIKeyLTBNFCWNEMLDOT-GFWDSOMCSA-N
MW325.51 g/mol
LogP4.32
Rot. Bonds5

About (1S,2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluorocyclohexyl)-3-(methylamino)propan-1-ol

(1S,2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluorocyclohexyl)-3-(methylamino)propan-1-ol (PubChem CID 140698802) has the molecular formula C20H36FNO and a molecular weight of 325.51 g/mol. Its IUPAC name is (1S,2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluorocyclohexyl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluorocyclohexyl)-3-(methylamino)propan-1-ol
PubChem CID140698802
Molecular FormulaC20H36FNO
Molecular Weight325.51 g/mol
Exact Mass325.28
IUPAC Name(1S,2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluorocyclohexyl)-3-(methylamino)propan-1-ol
SMILESCNC[C@@H](C1CCC2CCCCC2C1)[C@H](O)C1CCCCC1F
InChIInChI=1S/C20H36FNO/c1-22-13-18(20(23)17-8-4-5-9-19(17)21)16-11-10-14-6-2-3-7-15(14)12-16/h14-20,22-23H,2-13H2,1H3/t14?,15?,16?,17?,18-,19?,20+/m0/s1
InChIKeyLTBNFCWNEMLDOT-GFWDSOMCSA-N
XLogP4.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.51
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluorocyclohexyl)-3-(methylamino)propan-1-ol with MolForge

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Related Compounds

2-[(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine
CID 140698744
(1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol
CID 159001079
2-[(1R,2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclohexyl-3-(methylamino)propoxy]-N-cyclopropylacetamide
CID 140698778
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol
CID 115780854
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclopropyl-N-methylmethanamine
CID 104994252
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol
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(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 129374932
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 115813447
N-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 115592687
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-2-ol
CID 115720450
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(oxan-4-yl)ethanol
CID 115789574
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine
CID 115781927

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluorocyclohexyl)-3-(methylamino)propan-1-ol?
The IUPAC name of (1S,2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluorocyclohexyl)-3-(methylamino)propan-1-ol (CID 140698802) is (1S,2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluorocyclohexyl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for (1S,2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluorocyclohexyl)-3-(methylamino)propan-1-ol?
The canonical SMILES for (1S,2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluorocyclohexyl)-3-(methylamino)propan-1-ol is CNC[C@@H](C1CCC2CCCCC2C1)[C@H](O)C1CCCCC1F.
What is the InChIKey of (1S,2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluorocyclohexyl)-3-(methylamino)propan-1-ol?
The InChIKey is LTBNFCWNEMLDOT-GFWDSOMCSA-N. The full InChI is InChI=1S/C20H36FNO/c1-22-13-18(20(23)17-8-4-5-9-19(17)21)16-11-10-14-6-2-3-7-15(14)12-16/h14-20,22-23H,2-13H2,1H3/t14?,15?,16?,17?,18-,19?,20+/m0/s1.
What are the key properties of (1S,2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluorocyclohexyl)-3-(methylamino)propan-1-ol?
(1S,2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluorocyclohexyl)-3-(methylamino)propan-1-ol has a molecular weight of 325.51 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluorocyclohexyl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 140698802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).