1-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-3-methylpyrrolidin-3-ol

C15H18F2N2O — CID 169001103

IUPAC1-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CCc2c[nH]c3cc(F)cc(F)c23)C1
InChIInChI=1S/C15H18F2N2O/c1-15(20)3-5-19(9-15)4-2-10-8-18-13-7-11(16)6-12(17)14(10)13/h6-8,18,20H,2-5,9H2,1H3
InChIKeyCMTWSHNEXZDLBQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.45
Rot. Bonds3

About 1-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-3-methylpyrrolidin-3-ol

1-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-3-methylpyrrolidin-3-ol (PubChem CID 169001103) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-3-methylpyrrolidin-3-ol
PubChem CID169001103
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CCc2c[nH]c3cc(F)cc(F)c23)C1
InChIInChI=1S/C15H18F2N2O/c1-15(20)3-5-19(9-15)4-2-10-8-18-13-7-11(16)6-12(17)14(10)13/h6-8,18,20H,2-5,9H2,1H3
InChIKeyCMTWSHNEXZDLBQ-UHFFFAOYSA-N
XLogP2.45
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-but-2-enedioic acid;1-[2-(5,6-difluoro-1H-indol-3-yl)ethyl]-3-methylpyrrolidin-3-ol
CID 175922591
1-[2-[1-[[2-(4,7-difluoro-1H-indol-3-yl)ethyl-(2-hydroxyethyl)amino]methyl]-4,6-difluoroindol-3-yl]ethyl]-3-methylpyrrolidin-3-ol
CID 170039252
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
1-(4-fluorophenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-2-one
CID 103356858
2-[1-[2-(4,6-difluoro-1H-indol-3-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 167898106
6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole
CID 144581327
1-[3-(3,5-difluorophenyl)-3-(ethylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358518
3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole
CID 169286676
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103728682
N-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-N'-(1-ethyl-4-methylpyrazol-5-yl)oxamide
CID 167800340
1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol
CID 103358509
1-(4-fluorophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propan-2-one
CID 81103142

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-3-methylpyrrolidin-3-ol (CID 169001103) is 1-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(CCc2c[nH]c3cc(F)cc(F)c23)C1.
What is the InChIKey of 1-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-3-methylpyrrolidin-3-ol?
The InChIKey is CMTWSHNEXZDLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-15(20)3-5-19(9-15)4-2-10-8-18-13-7-11(16)6-12(17)14(10)13/h6-8,18,20H,2-5,9H2,1H3.
What are the key properties of 1-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-3-methylpyrrolidin-3-ol?
1-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-3-methylpyrrolidin-3-ol has a molecular weight of 280.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 169001103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).