(2S)-1-(4-fluorophenoxy)-3-[(4-methylquinolin-2-yl)amino]propan-2-ol

C19H19FN2O2 — CID 95674947

IUPAC(2S)-1-(4-fluorophenoxy)-3-[(4-methylquinolin-2-yl)amino]propan-2-ol
SMILESCc1cc(NC[C@H](O)COc2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C19H19FN2O2/c1-13-10-19(22-18-5-3-2-4-17(13)18)21-11-15(23)12-24-16-8-6-14(20)7-9-16/h2-10,15,23H,11-12H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyLGTAUWCOHFEYGO-HNNXBMFYSA-N
MW326.37 g/mol
LogP3.53
Rot. Bonds6

About (2S)-1-(4-fluorophenoxy)-3-[(4-methylquinolin-2-yl)amino]propan-2-ol

(2S)-1-(4-fluorophenoxy)-3-[(4-methylquinolin-2-yl)amino]propan-2-ol (PubChem CID 95674947) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenoxy)-3-[(4-methylquinolin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenoxy)-3-[(4-methylquinolin-2-yl)amino]propan-2-ol
PubChem CID95674947
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(2S)-1-(4-fluorophenoxy)-3-[(4-methylquinolin-2-yl)amino]propan-2-ol
SMILESCc1cc(NC[C@H](O)COc2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C19H19FN2O2/c1-13-10-19(22-18-5-3-2-4-17(13)18)21-11-15(23)12-24-16-8-6-14(20)7-9-16/h2-10,15,23H,11-12H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyLGTAUWCOHFEYGO-HNNXBMFYSA-N
XLogP3.53
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorophenoxy)-3-[(4-methylquinolin-2-yl)amino]propan-2-ol?
The IUPAC name of (2S)-1-(4-fluorophenoxy)-3-[(4-methylquinolin-2-yl)amino]propan-2-ol (CID 95674947) is (2S)-1-(4-fluorophenoxy)-3-[(4-methylquinolin-2-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-(4-fluorophenoxy)-3-[(4-methylquinolin-2-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-(4-fluorophenoxy)-3-[(4-methylquinolin-2-yl)amino]propan-2-ol is Cc1cc(NC[C@H](O)COc2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of (2S)-1-(4-fluorophenoxy)-3-[(4-methylquinolin-2-yl)amino]propan-2-ol?
The InChIKey is LGTAUWCOHFEYGO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13-10-19(22-18-5-3-2-4-17(13)18)21-11-15(23)12-24-16-8-6-14(20)7-9-16/h2-10,15,23H,11-12H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-1-(4-fluorophenoxy)-3-[(4-methylquinolin-2-yl)amino]propan-2-ol?
(2S)-1-(4-fluorophenoxy)-3-[(4-methylquinolin-2-yl)amino]propan-2-ol has a molecular weight of 326.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorophenoxy)-3-[(4-methylquinolin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 95674947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).