2-(2,2-difluoroethoxy)-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C15H21F2NO2 — CID 82003829

IUPAC2-(2,2-difluoroethoxy)-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2cc(OC)ccc2CCC1OCC(F)F
InChIInChI=1S/C15H21F2NO2/c1-3-18-15-12-8-11(19-2)6-4-10(12)5-7-13(15)20-9-14(16)17/h4,6,8,13-15,18H,3,5,7,9H2,1-2H3
InChIKeyALFCGNFXTRRKQT-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.94
Rot. Bonds6

About 2-(2,2-difluoroethoxy)-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

2-(2,2-difluoroethoxy)-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 82003829) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID82003829
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name2-(2,2-difluoroethoxy)-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2cc(OC)ccc2CCC1OCC(F)F
InChIInChI=1S/C15H21F2NO2/c1-3-18-15-12-8-11(19-2)6-4-10(12)5-7-13(15)20-9-14(16)17/h4,6,8,13-15,18H,3,5,7,9H2,1-2H3
InChIKeyALFCGNFXTRRKQT-UHFFFAOYSA-N
XLogP2.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-difluoroethoxy)-6-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82006055
N-ethyl-7-methoxy-2-(3-methoxypropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79235470
[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 79248721
7-methoxy-N-methyl-2-(3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82960676
2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 82003939
3-(difluoromethoxy)-N-ethyl-6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79726201
3-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 79237319
N-ethyl-1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 79368208
methyl 2-[[1-(ethylamino)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]acetate
CID 79236632
N-ethyl-1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propan-1-amine
CID 79368390
N-ethyl-7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248452
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 79368775

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 82003829) is 2-(2,2-difluoroethoxy)-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is CCNC1c2cc(OC)ccc2CCC1OCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ALFCGNFXTRRKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-3-18-15-12-8-11(19-2)6-4-10(12)5-7-13(15)20-9-14(16)17/h4,6,8,13-15,18H,3,5,7,9H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(2,2-difluoroethoxy)-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 285.33 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 82003829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).