3-(4-fluorophenyl)-3-(4-methoxyindazol-1-yl)-N-methylpropan-1-amine

C18H20FN3O — CID 58088633

IUPAC3-(4-fluorophenyl)-3-(4-methoxyindazol-1-yl)-N-methylpropan-1-amine
SMILESCNCCC(c1ccc(F)cc1)n1ncc2c(OC)cccc21
InChIInChI=1S/C18H20FN3O/c1-20-11-10-16(13-6-8-14(19)9-7-13)22-17-4-3-5-18(23-2)15(17)12-21-22/h3-9,12,16,20H,10-11H2,1-2H3
InChIKeyDMUFZDZIKYSLMZ-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.38
Rot. Bonds6

About 3-(4-fluorophenyl)-3-(4-methoxyindazol-1-yl)-N-methylpropan-1-amine

3-(4-fluorophenyl)-3-(4-methoxyindazol-1-yl)-N-methylpropan-1-amine (PubChem CID 58088633) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(4-methoxyindazol-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(4-methoxyindazol-1-yl)-N-methylpropan-1-amine
PubChem CID58088633
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name3-(4-fluorophenyl)-3-(4-methoxyindazol-1-yl)-N-methylpropan-1-amine
SMILESCNCCC(c1ccc(F)cc1)n1ncc2c(OC)cccc21
InChIInChI=1S/C18H20FN3O/c1-20-11-10-16(13-6-8-14(19)9-7-13)22-17-4-3-5-18(23-2)15(17)12-21-22/h3-9,12,16,20H,10-11H2,1-2H3
InChIKeyDMUFZDZIKYSLMZ-UHFFFAOYSA-N
XLogP3.38
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(4-methoxyindazol-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-3-(4-methoxyindazol-1-yl)-N-methylpropan-1-amine (CID 58088633) is 3-(4-fluorophenyl)-3-(4-methoxyindazol-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(4-methoxyindazol-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-3-(4-methoxyindazol-1-yl)-N-methylpropan-1-amine is CNCCC(c1ccc(F)cc1)n1ncc2c(OC)cccc21.
What is the InChIKey of 3-(4-fluorophenyl)-3-(4-methoxyindazol-1-yl)-N-methylpropan-1-amine?
The InChIKey is DMUFZDZIKYSLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-20-11-10-16(13-6-8-14(19)9-7-13)22-17-4-3-5-18(23-2)15(17)12-21-22/h3-9,12,16,20H,10-11H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-3-(4-methoxyindazol-1-yl)-N-methylpropan-1-amine?
3-(4-fluorophenyl)-3-(4-methoxyindazol-1-yl)-N-methylpropan-1-amine has a molecular weight of 313.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(4-methoxyindazol-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 58088633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).