7-fluoro-3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-ol

C14H19FN2O — CID 166158159

IUPAC7-fluoro-3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-ol
SMILESCC(C)N(C)CCc1c[nH]c2c(F)cc(O)cc12
InChIInChI=1S/C14H19FN2O/c1-9(2)17(3)5-4-10-8-16-14-12(10)6-11(18)7-13(14)15/h6-9,16,18H,4-5H2,1-3H3
InChIKeyMXFFZBJPVFMIHN-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.90
Rot. Bonds4

About 7-fluoro-3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-ol

7-fluoro-3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-ol (PubChem CID 166158159) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 7-fluoro-3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-ol.

Molecular Properties

Compound Name7-fluoro-3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-ol
PubChem CID166158159
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name7-fluoro-3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-ol
SMILESCC(C)N(C)CCc1c[nH]c2c(F)cc(O)cc12
InChIInChI=1S/C14H19FN2O/c1-9(2)17(3)5-4-10-8-16-14-12(10)6-11(18)7-13(14)15/h6-9,16,18H,4-5H2,1-3H3
InChIKeyMXFFZBJPVFMIHN-UHFFFAOYSA-N
XLogP2.90
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-ol?
The IUPAC name of 7-fluoro-3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-ol (CID 166158159) is 7-fluoro-3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-ol.
What is the SMILES notation for 7-fluoro-3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-ol?
The canonical SMILES for 7-fluoro-3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-ol is CC(C)N(C)CCc1c[nH]c2c(F)cc(O)cc12.
What is the InChIKey of 7-fluoro-3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-ol?
The InChIKey is MXFFZBJPVFMIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9(2)17(3)5-4-10-8-16-14-12(10)6-11(18)7-13(14)15/h6-9,16,18H,4-5H2,1-3H3.
What are the key properties of 7-fluoro-3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-ol?
7-fluoro-3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-ol has a molecular weight of 250.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-ol is sourced from PubChem (CID 166158159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).