2,2-dideuterio-2-(difluoromethoxy)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamine

C14H18F2N2O2 — CID 176862192

IUPAC2,2-dideuterio-2-(difluoromethoxy)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamine
SMILES[2H]C([2H])(CNCCc1c[nH]c2ccc(OC)cc12)OC(F)F
InChIInChI=1S/C14H18F2N2O2/c1-19-11-2-3-13-12(8-11)10(9-18-13)4-5-17-6-7-20-14(15)16/h2-3,8-9,14,17-18H,4-7H2,1H3/i7D2
InChIKeyZBCRJUYJMLCOPS-RJSZUWSASA-N
MW286.32 g/mol
LogP2.55
Rot. Bonds8

About 2,2-dideuterio-2-(difluoromethoxy)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamine

2,2-dideuterio-2-(difluoromethoxy)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamine (PubChem CID 176862192) has the molecular formula C14H18F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 2,2-dideuterio-2-(difluoromethoxy)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-dideuterio-2-(difluoromethoxy)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamine
PubChem CID176862192
Molecular FormulaC14H18F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name2,2-dideuterio-2-(difluoromethoxy)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamine
SMILES[2H]C([2H])(CNCCc1c[nH]c2ccc(OC)cc12)OC(F)F
InChIInChI=1S/C14H18F2N2O2/c1-19-11-2-3-13-12(8-11)10(9-18-13)4-5-17-6-7-20-14(15)16/h2-3,8-9,14,17-18H,4-7H2,1H3/i7D2
InChIKeyZBCRJUYJMLCOPS-RJSZUWSASA-N
XLogP2.55
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-tetradeuterio-2-(difluoromethoxy)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamine
CID 176862197
N-deuterio-N-[2-(difluoromethoxy)ethyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine
CID 176862230
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 53274281
2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol
CID 53274319
5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole
CID 102104245
4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]benzene-1,2-dicarbonitrile
CID 24850006
2-[2-(6-methoxy-1H-indol-3-yl)ethylamino]acetonitrile
CID 19837019
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine
CID 25219438
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 74405227
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 142888234
2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine
CID 98783922

Frequently Asked Questions

What is the IUPAC name of 2,2-dideuterio-2-(difluoromethoxy)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamine?
The IUPAC name of 2,2-dideuterio-2-(difluoromethoxy)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamine (CID 176862192) is 2,2-dideuterio-2-(difluoromethoxy)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2-dideuterio-2-(difluoromethoxy)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamine?
The canonical SMILES for 2,2-dideuterio-2-(difluoromethoxy)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamine is [2H]C([2H])(CNCCc1c[nH]c2ccc(OC)cc12)OC(F)F.
What is the InChIKey of 2,2-dideuterio-2-(difluoromethoxy)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamine?
The InChIKey is ZBCRJUYJMLCOPS-RJSZUWSASA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-19-11-2-3-13-12(8-11)10(9-18-13)4-5-17-6-7-20-14(15)16/h2-3,8-9,14,17-18H,4-7H2,1H3/i7D2.
What are the key properties of 2,2-dideuterio-2-(difluoromethoxy)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamine?
2,2-dideuterio-2-(difluoromethoxy)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamine has a molecular weight of 286.32 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dideuterio-2-(difluoromethoxy)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 176862192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).