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

C15H21FN2O — CID 166158078

IUPAC3-[2-[ethyl(propan-2-yl)amino]ethyl]-7-fluoro-1H-indol-5-ol
SMILESCCN(CCc1c[nH]c2c(F)cc(O)cc12)C(C)C
InChIInChI=1S/C15H21FN2O/c1-4-18(10(2)3)6-5-11-9-17-15-13(11)7-12(19)8-14(15)16/h7-10,17,19H,4-6H2,1-3H3
InChIKeyRPCQXIFOKIEOLX-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.29
Rot. Bonds5

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

3-[2-[ethyl(propan-2-yl)amino]ethyl]-7-fluoro-1H-indol-5-ol (PubChem CID 166158078) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-[2-[ethyl(propan-2-yl)amino]ethyl]-7-fluoro-1H-indol-5-ol.

Molecular Properties

Compound Name3-[2-[ethyl(propan-2-yl)amino]ethyl]-7-fluoro-1H-indol-5-ol
PubChem CID166158078
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name3-[2-[ethyl(propan-2-yl)amino]ethyl]-7-fluoro-1H-indol-5-ol
SMILESCCN(CCc1c[nH]c2c(F)cc(O)cc12)C(C)C
InChIInChI=1S/C15H21FN2O/c1-4-18(10(2)3)6-5-11-9-17-15-13(11)7-12(19)8-14(15)16/h7-10,17,19H,4-6H2,1-3H3
InChIKeyRPCQXIFOKIEOLX-UHFFFAOYSA-N
XLogP3.29
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(propan-2-yl)amino]ethyl]-7-fluoro-1H-indol-5-ol?
The IUPAC name of 3-[2-[ethyl(propan-2-yl)amino]ethyl]-7-fluoro-1H-indol-5-ol (CID 166158078) is 3-[2-[ethyl(propan-2-yl)amino]ethyl]-7-fluoro-1H-indol-5-ol.
What is the SMILES notation for 3-[2-[ethyl(propan-2-yl)amino]ethyl]-7-fluoro-1H-indol-5-ol?
The canonical SMILES for 3-[2-[ethyl(propan-2-yl)amino]ethyl]-7-fluoro-1H-indol-5-ol is CCN(CCc1c[nH]c2c(F)cc(O)cc12)C(C)C.
What is the InChIKey of 3-[2-[ethyl(propan-2-yl)amino]ethyl]-7-fluoro-1H-indol-5-ol?
The InChIKey is RPCQXIFOKIEOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-4-18(10(2)3)6-5-11-9-17-15-13(11)7-12(19)8-14(15)16/h7-10,17,19H,4-6H2,1-3H3.
What are the key properties of 3-[2-[ethyl(propan-2-yl)amino]ethyl]-7-fluoro-1H-indol-5-ol?
3-[2-[ethyl(propan-2-yl)amino]ethyl]-7-fluoro-1H-indol-5-ol has a molecular weight of 264.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(propan-2-yl)amino]ethyl]-7-fluoro-1H-indol-5-ol is sourced from PubChem (CID 166158078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).