(2S)-4-[2-[2-(3-fluorophenyl)-1H-indol-3-yl]ethyl]-2,6-dimethylmorpholine

C22H25FN2O — CID 59920970

IUPAC(2S)-4-[2-[2-(3-fluorophenyl)-1H-indol-3-yl]ethyl]-2,6-dimethylmorpholine
SMILESCC1CN(CCc2c(-c3cccc(F)c3)[nH]c3ccccc23)C[C@H](C)O1
InChIInChI=1S/C22H25FN2O/c1-15-13-25(14-16(2)26-15)11-10-20-19-8-3-4-9-21(19)24-22(20)17-6-5-7-18(23)12-17/h3-9,12,15-16,24H,10-11,13-14H2,1-2H3/t15-,16?/m0/s1
InChIKeyKDVFLDTXMWERSH-VYRBHSGPSA-N
MW352.45 g/mol
LogP4.63
Rot. Bonds4

About (2S)-4-[2-[2-(3-fluorophenyl)-1H-indol-3-yl]ethyl]-2,6-dimethylmorpholine

(2S)-4-[2-[2-(3-fluorophenyl)-1H-indol-3-yl]ethyl]-2,6-dimethylmorpholine (PubChem CID 59920970) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is (2S)-4-[2-[2-(3-fluorophenyl)-1H-indol-3-yl]ethyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S)-4-[2-[2-(3-fluorophenyl)-1H-indol-3-yl]ethyl]-2,6-dimethylmorpholine
PubChem CID59920970
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name(2S)-4-[2-[2-(3-fluorophenyl)-1H-indol-3-yl]ethyl]-2,6-dimethylmorpholine
SMILESCC1CN(CCc2c(-c3cccc(F)c3)[nH]c3ccccc23)C[C@H](C)O1
InChIInChI=1S/C22H25FN2O/c1-15-13-25(14-16(2)26-15)11-10-20-19-8-3-4-9-21(19)24-22(20)17-6-5-7-18(23)12-17/h3-9,12,15-16,24H,10-11,13-14H2,1-2H3/t15-,16?/m0/s1
InChIKeyKDVFLDTXMWERSH-VYRBHSGPSA-N
XLogP4.63
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 59920997
2-(3-fluorophenyl)-3-[2-(2-methylpyrrolidin-1-yl)ethyl]-1H-indole
CID 59921018
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one
CID 51488484
3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
CID 59920990
2-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]-1H-indole
CID 59921038
4-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine
CID 110223547
1-(2,6-dimethylmorpholin-4-yl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propan-2-ol
CID 56799360
2-[4-[2-[2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 59920987
(2R,6R)-4-[2-(4-fluorophenoxy)ethyl]-2,6-dimethylmorpholine
CID 888238
2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 901181
1-(2,6-dimethylmorpholin-4-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one
CID 18833257
3-[2-[4-[2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-phenyl-1H-indole
CID 72596380

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-[2-(3-fluorophenyl)-1H-indol-3-yl]ethyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S)-4-[2-[2-(3-fluorophenyl)-1H-indol-3-yl]ethyl]-2,6-dimethylmorpholine (CID 59920970) is (2S)-4-[2-[2-(3-fluorophenyl)-1H-indol-3-yl]ethyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S)-4-[2-[2-(3-fluorophenyl)-1H-indol-3-yl]ethyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S)-4-[2-[2-(3-fluorophenyl)-1H-indol-3-yl]ethyl]-2,6-dimethylmorpholine is CC1CN(CCc2c(-c3cccc(F)c3)[nH]c3ccccc23)C[C@H](C)O1.
What is the InChIKey of (2S)-4-[2-[2-(3-fluorophenyl)-1H-indol-3-yl]ethyl]-2,6-dimethylmorpholine?
The InChIKey is KDVFLDTXMWERSH-VYRBHSGPSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-15-13-25(14-16(2)26-15)11-10-20-19-8-3-4-9-21(19)24-22(20)17-6-5-7-18(23)12-17/h3-9,12,15-16,24H,10-11,13-14H2,1-2H3/t15-,16?/m0/s1.
What are the key properties of (2S)-4-[2-[2-(3-fluorophenyl)-1H-indol-3-yl]ethyl]-2,6-dimethylmorpholine?
(2S)-4-[2-[2-(3-fluorophenyl)-1H-indol-3-yl]ethyl]-2,6-dimethylmorpholine has a molecular weight of 352.45 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-[2-(3-fluorophenyl)-1H-indol-3-yl]ethyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 59920970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).