2-(2,2-difluoroethoxy)-6-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H23F2NO2 — CID 82006055

IUPAC2-(2,2-difluoroethoxy)-6-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1c2ccc(OC)cc2CCC1OCC(F)F
InChIInChI=1S/C16H23F2NO2/c1-3-8-19-16-13-6-5-12(20-2)9-11(13)4-7-14(16)21-10-15(17)18/h5-6,9,14-16,19H,3-4,7-8,10H2,1-2H3
InChIKeySWJOARNKXPSODN-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.33
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-6-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-(2,2-difluoroethoxy)-6-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 82006055) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-6-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-6-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID82006055
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name2-(2,2-difluoroethoxy)-6-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1c2ccc(OC)cc2CCC1OCC(F)F
InChIInChI=1S/C16H23F2NO2/c1-3-8-19-16-13-6-5-12(20-2)9-11(13)4-7-14(16)21-10-15(17)18/h5-6,9,14-16,19H,3-4,7-8,10H2,1-2H3
InChIKeySWJOARNKXPSODN-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-difluoroethoxy)-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82003829
6-methoxy-N-methyl-2-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103283356
[6-methoxy-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 64814688
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 64812391
N-ethyl-6-methoxy-2-propylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64614896
1-ethyl-6-methoxy-1-methyl-N-propyl-2a,3,4,8b-tetrahydro-2H-cyclobuta[a]naphthalen-2-amine
CID 81422543
2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 82003939
2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79371140
N-ethyl-6-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763324
N-ethyl-7-methoxy-2-(3-methoxypropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79235470
N-butan-2-yl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43190307

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-6-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(2,2-difluoroethoxy)-6-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 82006055) is 2-(2,2-difluoroethoxy)-6-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-6-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-6-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCNC1c2ccc(OC)cc2CCC1OCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-6-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is SWJOARNKXPSODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-3-8-19-16-13-6-5-12(20-2)9-11(13)4-7-14(16)21-10-15(17)18/h5-6,9,14-16,19H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-6-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(2,2-difluoroethoxy)-6-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 299.36 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-6-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 82006055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).