2-[[(2R)-2-(3-fluoro-1H-indol-5-yl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol

C14H19FN2O2 — CID 167168929

IUPAC2-[[(2R)-2-(3-fluoro-1H-indol-5-yl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NC[C@H](O)c1ccc2[nH]cc(F)c2c1
InChIInChI=1S/C14H19FN2O2/c1-14(2,8-18)17-7-13(19)9-3-4-12-10(5-9)11(15)6-16-12/h3-6,13,16-19H,7-8H2,1-2H3/t13-/m0/s1
InChIKeyIQZXANISSJUAHO-ZDUSSCGKSA-N
MW266.32 g/mol
LogP1.70
Rot. Bonds5

About 2-[[(2R)-2-(3-fluoro-1H-indol-5-yl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol

2-[[(2R)-2-(3-fluoro-1H-indol-5-yl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol (PubChem CID 167168929) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[[(2R)-2-(3-fluoro-1H-indol-5-yl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[(2R)-2-(3-fluoro-1H-indol-5-yl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
PubChem CID167168929
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-[[(2R)-2-(3-fluoro-1H-indol-5-yl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NC[C@H](O)c1ccc2[nH]cc(F)c2c1
InChIInChI=1S/C14H19FN2O2/c1-14(2,8-18)17-7-13(19)9-3-4-12-10(5-9)11(15)6-16-12/h3-6,13,16-19H,7-8H2,1-2H3/t13-/m0/s1
InChIKeyIQZXANISSJUAHO-ZDUSSCGKSA-N
XLogP1.70
TPSA68.28 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
CID 52904788
hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride
CID 67107982
2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
CID 82313995
2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
CID 19831980
2-[2-hydroxy-5-[1-hydroxy-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile
CID 21325148
3-fluoro-1H-indol-5-ol
CID 105429509
2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol
CID 124571352
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 63334175
2-[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N,N,2-trimethylpropanamide
CID 96547825
4-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol
CID 24994231

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(3-fluoro-1H-indol-5-yl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[(2R)-2-(3-fluoro-1H-indol-5-yl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol (CID 167168929) is 2-[[(2R)-2-(3-fluoro-1H-indol-5-yl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[(2R)-2-(3-fluoro-1H-indol-5-yl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[(2R)-2-(3-fluoro-1H-indol-5-yl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol is CC(C)(CO)NC[C@H](O)c1ccc2[nH]cc(F)c2c1.
What is the InChIKey of 2-[[(2R)-2-(3-fluoro-1H-indol-5-yl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol?
The InChIKey is IQZXANISSJUAHO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-14(2,8-18)17-7-13(19)9-3-4-12-10(5-9)11(15)6-16-12/h3-6,13,16-19H,7-8H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-[[(2R)-2-(3-fluoro-1H-indol-5-yl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol?
2-[[(2R)-2-(3-fluoro-1H-indol-5-yl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol has a molecular weight of 266.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(3-fluoro-1H-indol-5-yl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 167168929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).