(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).