(1S)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-1-ol

C18H19FN2O — CID 143120340

IUPAC(1S)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-1-ol
SMILESCNCC[C@](O)(c1cccc(F)c1)n1ccc2ccccc21
InChIInChI=1S/C18H19FN2O/c1-20-11-10-18(22,15-6-4-7-16(19)13-15)21-12-9-14-5-2-3-8-17(14)21/h2-9,12-13,20,22H,10-11H2,1H3/t18-/m0/s1
InChIKeyBLKQRGOVTXKKGM-SFHVURJKSA-N
MW298.36 g/mol
LogP3.08
Rot. Bonds5

About (1S)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-1-ol

(1S)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-1-ol (PubChem CID 143120340) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is (1S)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-1-ol
PubChem CID143120340
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name(1S)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-1-ol
SMILESCNCC[C@](O)(c1cccc(F)c1)n1ccc2ccccc21
InChIInChI=1S/C18H19FN2O/c1-20-11-10-18(22,15-6-4-7-16(19)13-15)21-12-9-14-5-2-3-8-17(14)21/h2-9,12-13,20,22H,10-11H2,1H3/t18-/m0/s1
InChIKeyBLKQRGOVTXKKGM-SFHVURJKSA-N
XLogP3.08
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-indol-1-ylpropane-1,1-diol
CID 71775328
(1S,2R)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;hydrochloride
CID 68907902
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
(2R,3S)-3-(3-fluorophenyl)-3-indol-1-yl-N-methyl-2-nitrosopropan-1-amine
CID 163725761
3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine
CID 62564082
4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 81022804
1-(ethylamino)-2-(3-fluorophenyl)propan-2-ol
CID 62775143
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine
CID 58088567
3-fluoro-N-methyl-3-phenylbutan-1-amine
CID 105439612
2-hydroxy-2-indol-1-ylpropanoic acid
CID 21286278
2-hydroxy-2-indol-1-ylbutanenitrile
CID 22558329

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-1-ol?
The IUPAC name of (1S)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-1-ol (CID 143120340) is (1S)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-1-ol.
What is the SMILES notation for (1S)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-1-ol?
The canonical SMILES for (1S)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-1-ol is CNCC[C@](O)(c1cccc(F)c1)n1ccc2ccccc21.
What is the InChIKey of (1S)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-1-ol?
The InChIKey is BLKQRGOVTXKKGM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-20-11-10-18(22,15-6-4-7-16(19)13-15)21-12-9-14-5-2-3-8-17(14)21/h2-9,12-13,20,22H,10-11H2,1H3/t18-/m0/s1.
What are the key properties of (1S)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-1-ol?
(1S)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-1-ol has a molecular weight of 298.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-1-ol is sourced from PubChem (CID 143120340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).