3-[5-(3-fluorophenyl)-3-pyridinyl]-2-(1H-indol-7-yloxy)propan-1-amine

C22H20FN3O — CID 67084752

IUPAC3-[5-(3-fluorophenyl)-3-pyridinyl]-2-(1H-indol-7-yloxy)propan-1-amine
SMILESNCC(Cc1cncc(-c2cccc(F)c2)c1)Oc1cccc2cc[nH]c12
InChIInChI=1S/C22H20FN3O/c23-19-5-1-4-17(11-19)18-9-15(13-25-14-18)10-20(12-24)27-21-6-2-3-16-7-8-26-22(16)21/h1-9,11,13-14,20,26H,10,12,24H2
InChIKeyWBOQHACBGNEECT-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.32
Rot. Bonds6

About 3-[5-(3-fluorophenyl)-3-pyridinyl]-2-(1H-indol-7-yloxy)propan-1-amine

3-[5-(3-fluorophenyl)-3-pyridinyl]-2-(1H-indol-7-yloxy)propan-1-amine (PubChem CID 67084752) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-[5-(3-fluorophenyl)-3-pyridinyl]-2-(1H-indol-7-yloxy)propan-1-amine.

Molecular Properties

Compound Name3-[5-(3-fluorophenyl)-3-pyridinyl]-2-(1H-indol-7-yloxy)propan-1-amine
PubChem CID67084752
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name3-[5-(3-fluorophenyl)-3-pyridinyl]-2-(1H-indol-7-yloxy)propan-1-amine
SMILESNCC(Cc1cncc(-c2cccc(F)c2)c1)Oc1cccc2cc[nH]c12
InChIInChI=1S/C22H20FN3O/c23-19-5-1-4-17(11-19)18-9-15(13-25-14-18)10-20(12-24)27-21-6-2-3-16-7-8-26-22(16)21/h1-9,11,13-14,20,26H,10,12,24H2
InChIKeyWBOQHACBGNEECT-UHFFFAOYSA-N
XLogP4.32
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorophenyl)-3-pyridinyl]-2-(1H-indol-7-yloxy)propan-1-amine?
The IUPAC name of 3-[5-(3-fluorophenyl)-3-pyridinyl]-2-(1H-indol-7-yloxy)propan-1-amine (CID 67084752) is 3-[5-(3-fluorophenyl)-3-pyridinyl]-2-(1H-indol-7-yloxy)propan-1-amine.
What is the SMILES notation for 3-[5-(3-fluorophenyl)-3-pyridinyl]-2-(1H-indol-7-yloxy)propan-1-amine?
The canonical SMILES for 3-[5-(3-fluorophenyl)-3-pyridinyl]-2-(1H-indol-7-yloxy)propan-1-amine is NCC(Cc1cncc(-c2cccc(F)c2)c1)Oc1cccc2cc[nH]c12.
What is the InChIKey of 3-[5-(3-fluorophenyl)-3-pyridinyl]-2-(1H-indol-7-yloxy)propan-1-amine?
The InChIKey is WBOQHACBGNEECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c23-19-5-1-4-17(11-19)18-9-15(13-25-14-18)10-20(12-24)27-21-6-2-3-16-7-8-26-22(16)21/h1-9,11,13-14,20,26H,10,12,24H2.
What are the key properties of 3-[5-(3-fluorophenyl)-3-pyridinyl]-2-(1H-indol-7-yloxy)propan-1-amine?
3-[5-(3-fluorophenyl)-3-pyridinyl]-2-(1H-indol-7-yloxy)propan-1-amine has a molecular weight of 361.42 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenyl)-3-pyridinyl]-2-(1H-indol-7-yloxy)propan-1-amine is sourced from PubChem (CID 67084752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).