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

C14H18F2N2O2 — CID 176862230

IUPACN-deuterio-N-[2-(difluoromethoxy)ethyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine
SMILES[2H]N(CCOC(F)F)CCc1c[nH]c2ccc(OC)cc12
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/i/hD
InChIKeyZBCRJUYJMLCOPS-DYCDLGHISA-N
MW285.31 g/mol
LogP2.55
Rot. Bonds8

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

N-deuterio-N-[2-(difluoromethoxy)ethyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine (PubChem CID 176862230) has the molecular formula C14H18F2N2O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-deuterio-N-[2-(difluoromethoxy)ethyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-deuterio-N-[2-(difluoromethoxy)ethyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine
PubChem CID176862230
Molecular FormulaC14H18F2N2O2
Molecular Weight285.31 g/mol
Exact Mass285.14
IUPAC NameN-deuterio-N-[2-(difluoromethoxy)ethyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine
SMILES[2H]N(CCOC(F)F)CCc1c[nH]c2ccc(OC)cc12
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/i/hD
InChIKeyZBCRJUYJMLCOPS-DYCDLGHISA-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 ≤ 500285.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
2,2-dideuterio-2-(difluoromethoxy)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanamine
CID 176862192
5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole
CID 102104245
3-(2-ethoxyethyl)-5-methoxy-1H-indole
CID 167475271
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
N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine
CID 124907942
2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol
CID 53274319
2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine
CID 172624963
[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
CID 51852107
4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]benzene-1,2-dicarbonitrile
CID 24850006

Frequently Asked Questions

What is the IUPAC name of N-deuterio-N-[2-(difluoromethoxy)ethyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine?
The IUPAC name of N-deuterio-N-[2-(difluoromethoxy)ethyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine (CID 176862230) is N-deuterio-N-[2-(difluoromethoxy)ethyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-deuterio-N-[2-(difluoromethoxy)ethyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine?
The canonical SMILES for N-deuterio-N-[2-(difluoromethoxy)ethyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine is [2H]N(CCOC(F)F)CCc1c[nH]c2ccc(OC)cc12.
What is the InChIKey of N-deuterio-N-[2-(difluoromethoxy)ethyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine?
The InChIKey is ZBCRJUYJMLCOPS-DYCDLGHISA-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/i/hD.
What are the key properties of N-deuterio-N-[2-(difluoromethoxy)ethyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine?
N-deuterio-N-[2-(difluoromethoxy)ethyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine has a molecular weight of 285.31 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 N-deuterio-N-[2-(difluoromethoxy)ethyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 176862230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).