(2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine

C20H36FN — CID 140698737

IUPAC(2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine
SMILESCNC[C@H](CC1CCCCC1F)C1CCC2CCCCC2C1
InChIInChI=1S/C20H36FN/c1-22-14-19(13-18-8-4-5-9-20(18)21)17-11-10-15-6-2-3-7-16(15)12-17/h15-20,22H,2-14H2,1H3/t15?,16?,17?,18?,19-,20?/m0/s1
InChIKeyJGLMBXGKOCUWKW-BIKXEMDZSA-N
MW309.51 g/mol
LogP5.35
Rot. Bonds5

About (2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine

(2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine (PubChem CID 140698737) has the molecular formula C20H36FN and a molecular weight of 309.51 g/mol. Its IUPAC name is (2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name(2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine
PubChem CID140698737
Molecular FormulaC20H36FN
Molecular Weight309.51 g/mol
Exact Mass309.28
IUPAC Name(2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine
SMILESCNC[C@H](CC1CCCCC1F)C1CCC2CCCCC2C1
InChIInChI=1S/C20H36FN/c1-22-14-19(13-18-8-4-5-9-20(18)21)17-11-10-15-6-2-3-7-16(15)12-17/h15-20,22H,2-14H2,1H3/t15?,16?,17?,18?,19-,20?/m0/s1
InChIKeyJGLMBXGKOCUWKW-BIKXEMDZSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.51
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine?
The IUPAC name of (2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine (CID 140698737) is (2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine.
What is the SMILES notation for (2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine?
The canonical SMILES for (2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine is CNC[C@H](CC1CCCCC1F)C1CCC2CCCCC2C1.
What is the InChIKey of (2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine?
The InChIKey is JGLMBXGKOCUWKW-BIKXEMDZSA-N. The full InChI is InChI=1S/C20H36FN/c1-22-14-19(13-18-8-4-5-9-20(18)21)17-11-10-15-6-2-3-7-16(15)12-17/h15-20,22H,2-14H2,1H3/t15?,16?,17?,18?,19-,20?/m0/s1.
What are the key properties of (2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine?
(2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine has a molecular weight of 309.51 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine is sourced from PubChem (CID 140698737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).