(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-methylindol-1-yl)propan-2-ol

C19H21FN2O — CID 44626374

IUPAC(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-methylindol-1-yl)propan-2-ol
SMILESCNC[C@@H](O)[C@H](c1cccc(F)c1)n1cc(C)c2ccccc21
InChIInChI=1S/C19H21FN2O/c1-13-12-22(17-9-4-3-8-16(13)17)19(18(23)11-21-2)14-6-5-7-15(20)10-14/h3-10,12,18-19,21,23H,11H2,1-2H3/t18-,19+/m1/s1
InChIKeySPBUAQRRWQFNRI-MOPGFXCFSA-N
MW312.39 g/mol
LogP3.26
Rot. Bonds5

About (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-methylindol-1-yl)propan-2-ol

(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-methylindol-1-yl)propan-2-ol (PubChem CID 44626374) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-methylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-methylindol-1-yl)propan-2-ol
PubChem CID44626374
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-methylindol-1-yl)propan-2-ol
SMILESCNC[C@@H](O)[C@H](c1cccc(F)c1)n1cc(C)c2ccccc21
InChIInChI=1S/C19H21FN2O/c1-13-12-22(17-9-4-3-8-16(13)17)19(18(23)11-21-2)14-6-5-7-15(20)10-14/h3-10,12,18-19,21,23H,11H2,1-2H3/t18-,19+/m1/s1
InChIKeySPBUAQRRWQFNRI-MOPGFXCFSA-N
XLogP3.26
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-methylindol-1-yl)propan-2-ol 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 (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-methylindol-1-yl)propan-2-ol?
The IUPAC name of (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-methylindol-1-yl)propan-2-ol (CID 44626374) is (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-methylindol-1-yl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-methylindol-1-yl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-methylindol-1-yl)propan-2-ol is CNC[C@@H](O)[C@H](c1cccc(F)c1)n1cc(C)c2ccccc21.
What is the InChIKey of (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-methylindol-1-yl)propan-2-ol?
The InChIKey is SPBUAQRRWQFNRI-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-13-12-22(17-9-4-3-8-16(13)17)19(18(23)11-21-2)14-6-5-7-15(20)10-14/h3-10,12,18-19,21,23H,11H2,1-2H3/t18-,19+/m1/s1.
What are the key properties of (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-methylindol-1-yl)propan-2-ol?
(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-methylindol-1-yl)propan-2-ol has a molecular weight of 312.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-methylindol-1-yl)propan-2-ol is sourced from PubChem (CID 44626374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).