(2R)-1-[5-[(3-fluorophenyl)methoxy]indol-1-yl]-N,N-dimethylpropan-2-amine

C20H23FN2O — CID 168939614

IUPAC(2R)-1-[5-[(3-fluorophenyl)methoxy]indol-1-yl]-N,N-dimethylpropan-2-amine
SMILESC[C@H](Cn1ccc2cc(OCc3cccc(F)c3)ccc21)N(C)C
InChIInChI=1S/C20H23FN2O/c1-15(22(2)3)13-23-10-9-17-12-19(7-8-20(17)23)24-14-16-5-4-6-18(21)11-16/h4-12,15H,13-14H2,1-3H3/t15-/m1/s1
InChIKeyHYEJDCGXYOFIEB-OAHLLOKOSA-N
MW326.42 g/mol
LogP4.31
Rot. Bonds6

About (2R)-1-[5-[(3-fluorophenyl)methoxy]indol-1-yl]-N,N-dimethylpropan-2-amine

(2R)-1-[5-[(3-fluorophenyl)methoxy]indol-1-yl]-N,N-dimethylpropan-2-amine (PubChem CID 168939614) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is (2R)-1-[5-[(3-fluorophenyl)methoxy]indol-1-yl]-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-[5-[(3-fluorophenyl)methoxy]indol-1-yl]-N,N-dimethylpropan-2-amine
PubChem CID168939614
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name(2R)-1-[5-[(3-fluorophenyl)methoxy]indol-1-yl]-N,N-dimethylpropan-2-amine
SMILESC[C@H](Cn1ccc2cc(OCc3cccc(F)c3)ccc21)N(C)C
InChIInChI=1S/C20H23FN2O/c1-15(22(2)3)13-23-10-9-17-12-19(7-8-20(17)23)24-14-16-5-4-6-18(21)11-16/h4-12,15H,13-14H2,1-3H3/t15-/m1/s1
InChIKeyHYEJDCGXYOFIEB-OAHLLOKOSA-N
XLogP4.31
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[5-[(3-fluorophenyl)methoxy]indol-1-yl]-N,N-dimethylpropan-2-amine?
The IUPAC name of (2R)-1-[5-[(3-fluorophenyl)methoxy]indol-1-yl]-N,N-dimethylpropan-2-amine (CID 168939614) is (2R)-1-[5-[(3-fluorophenyl)methoxy]indol-1-yl]-N,N-dimethylpropan-2-amine.
What is the SMILES notation for (2R)-1-[5-[(3-fluorophenyl)methoxy]indol-1-yl]-N,N-dimethylpropan-2-amine?
The canonical SMILES for (2R)-1-[5-[(3-fluorophenyl)methoxy]indol-1-yl]-N,N-dimethylpropan-2-amine is C[C@H](Cn1ccc2cc(OCc3cccc(F)c3)ccc21)N(C)C.
What is the InChIKey of (2R)-1-[5-[(3-fluorophenyl)methoxy]indol-1-yl]-N,N-dimethylpropan-2-amine?
The InChIKey is HYEJDCGXYOFIEB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-15(22(2)3)13-23-10-9-17-12-19(7-8-20(17)23)24-14-16-5-4-6-18(21)11-16/h4-12,15H,13-14H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-1-[5-[(3-fluorophenyl)methoxy]indol-1-yl]-N,N-dimethylpropan-2-amine?
(2R)-1-[5-[(3-fluorophenyl)methoxy]indol-1-yl]-N,N-dimethylpropan-2-amine has a molecular weight of 326.42 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[5-[(3-fluorophenyl)methoxy]indol-1-yl]-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 168939614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).