[5-chloro-3-[2-(dimethylamino)ethoxy]-1-(4-fluorophenyl)indol-2-yl]methanol

C19H20ClFN2O2 — CID 19065929

IUPAC[5-chloro-3-[2-(dimethylamino)ethoxy]-1-(4-fluorophenyl)indol-2-yl]methanol
SMILESCN(C)CCOc1c(CO)n(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C19H20ClFN2O2/c1-22(2)9-10-25-19-16-11-13(20)3-8-17(16)23(18(19)12-24)15-6-4-14(21)5-7-15/h3-8,11,24H,9-10,12H2,1-2H3
InChIKeyUSKLWUAQNCRWDR-UHFFFAOYSA-N
MW362.83 g/mol
LogP3.86
Rot. Bonds6

About [5-chloro-3-[2-(dimethylamino)ethoxy]-1-(4-fluorophenyl)indol-2-yl]methanol

[5-chloro-3-[2-(dimethylamino)ethoxy]-1-(4-fluorophenyl)indol-2-yl]methanol (PubChem CID 19065929) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is [5-chloro-3-[2-(dimethylamino)ethoxy]-1-(4-fluorophenyl)indol-2-yl]methanol.

Molecular Properties

Compound Name[5-chloro-3-[2-(dimethylamino)ethoxy]-1-(4-fluorophenyl)indol-2-yl]methanol
PubChem CID19065929
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name[5-chloro-3-[2-(dimethylamino)ethoxy]-1-(4-fluorophenyl)indol-2-yl]methanol
SMILESCN(C)CCOc1c(CO)n(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C19H20ClFN2O2/c1-22(2)9-10-25-19-16-11-13(20)3-8-17(16)23(18(19)12-24)15-6-4-14(21)5-7-15/h3-8,11,24H,9-10,12H2,1-2H3
InChIKeyUSKLWUAQNCRWDR-UHFFFAOYSA-N
XLogP3.86
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-[2-(dimethylamino)ethoxy]-1-(4-fluorophenyl)indol-2-yl]methanol?
The IUPAC name of [5-chloro-3-[2-(dimethylamino)ethoxy]-1-(4-fluorophenyl)indol-2-yl]methanol (CID 19065929) is [5-chloro-3-[2-(dimethylamino)ethoxy]-1-(4-fluorophenyl)indol-2-yl]methanol.
What is the SMILES notation for [5-chloro-3-[2-(dimethylamino)ethoxy]-1-(4-fluorophenyl)indol-2-yl]methanol?
The canonical SMILES for [5-chloro-3-[2-(dimethylamino)ethoxy]-1-(4-fluorophenyl)indol-2-yl]methanol is CN(C)CCOc1c(CO)n(-c2ccc(F)cc2)c2ccc(Cl)cc12.
What is the InChIKey of [5-chloro-3-[2-(dimethylamino)ethoxy]-1-(4-fluorophenyl)indol-2-yl]methanol?
The InChIKey is USKLWUAQNCRWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-22(2)9-10-25-19-16-11-13(20)3-8-17(16)23(18(19)12-24)15-6-4-14(21)5-7-15/h3-8,11,24H,9-10,12H2,1-2H3.
What are the key properties of [5-chloro-3-[2-(dimethylamino)ethoxy]-1-(4-fluorophenyl)indol-2-yl]methanol?
[5-chloro-3-[2-(dimethylamino)ethoxy]-1-(4-fluorophenyl)indol-2-yl]methanol has a molecular weight of 362.83 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-[2-(dimethylamino)ethoxy]-1-(4-fluorophenyl)indol-2-yl]methanol is sourced from PubChem (CID 19065929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).