2-(dimethylamino)-1-(6-fluoro-4-phenylmethoxy-1-propan-2-ylindol-3-yl)ethanol

C22H27FN2O2 — CID 175978838

IUPAC2-(dimethylamino)-1-(6-fluoro-4-phenylmethoxy-1-propan-2-ylindol-3-yl)ethanol
SMILESCC(C)n1cc(C(O)CN(C)C)c2c(OCc3ccccc3)cc(F)cc21
InChIInChI=1S/C22H27FN2O2/c1-15(2)25-12-18(20(26)13-24(3)4)22-19(25)10-17(23)11-21(22)27-14-16-8-6-5-7-9-16/h5-12,15,20,26H,13-14H2,1-4H3
InChIKeyUGPZXUUQMFZAQJ-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.54
Rot. Bonds7

About 2-(dimethylamino)-1-(6-fluoro-4-phenylmethoxy-1-propan-2-ylindol-3-yl)ethanol

2-(dimethylamino)-1-(6-fluoro-4-phenylmethoxy-1-propan-2-ylindol-3-yl)ethanol (PubChem CID 175978838) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(6-fluoro-4-phenylmethoxy-1-propan-2-ylindol-3-yl)ethanol.

Molecular Properties

Compound Name2-(dimethylamino)-1-(6-fluoro-4-phenylmethoxy-1-propan-2-ylindol-3-yl)ethanol
PubChem CID175978838
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name2-(dimethylamino)-1-(6-fluoro-4-phenylmethoxy-1-propan-2-ylindol-3-yl)ethanol
SMILESCC(C)n1cc(C(O)CN(C)C)c2c(OCc3ccccc3)cc(F)cc21
InChIInChI=1S/C22H27FN2O2/c1-15(2)25-12-18(20(26)13-24(3)4)22-19(25)10-17(23)11-21(22)27-14-16-8-6-5-7-9-16/h5-12,15,20,26H,13-14H2,1-4H3
InChIKeyUGPZXUUQMFZAQJ-UHFFFAOYSA-N
XLogP4.54
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(6-fluoro-4-phenylmethoxy-1-propan-2-ylindol-3-yl)ethanol?
The IUPAC name of 2-(dimethylamino)-1-(6-fluoro-4-phenylmethoxy-1-propan-2-ylindol-3-yl)ethanol (CID 175978838) is 2-(dimethylamino)-1-(6-fluoro-4-phenylmethoxy-1-propan-2-ylindol-3-yl)ethanol.
What is the SMILES notation for 2-(dimethylamino)-1-(6-fluoro-4-phenylmethoxy-1-propan-2-ylindol-3-yl)ethanol?
The canonical SMILES for 2-(dimethylamino)-1-(6-fluoro-4-phenylmethoxy-1-propan-2-ylindol-3-yl)ethanol is CC(C)n1cc(C(O)CN(C)C)c2c(OCc3ccccc3)cc(F)cc21.
What is the InChIKey of 2-(dimethylamino)-1-(6-fluoro-4-phenylmethoxy-1-propan-2-ylindol-3-yl)ethanol?
The InChIKey is UGPZXUUQMFZAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-15(2)25-12-18(20(26)13-24(3)4)22-19(25)10-17(23)11-21(22)27-14-16-8-6-5-7-9-16/h5-12,15,20,26H,13-14H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-(6-fluoro-4-phenylmethoxy-1-propan-2-ylindol-3-yl)ethanol?
2-(dimethylamino)-1-(6-fluoro-4-phenylmethoxy-1-propan-2-ylindol-3-yl)ethanol has a molecular weight of 370.47 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(6-fluoro-4-phenylmethoxy-1-propan-2-ylindol-3-yl)ethanol is sourced from PubChem (CID 175978838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).