3-[[4-(dipropylamino)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol

C21H24FN3O — CID 135605075

IUPAC3-[[4-(dipropylamino)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol
SMILESCCCN(CCC)c1ccc(/N=C/c2c(O)[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C21H24FN3O/c1-3-11-25(12-4-2)17-8-6-16(7-9-17)23-14-19-18-10-5-15(22)13-20(18)24-21(19)26/h5-10,13-14,24,26H,3-4,11-12H2,1-2H3/b23-14+
InChIKeyYCNJNSQJWRIKOM-OEAKJJBVSA-N
MW353.44 g/mol
LogP5.39
Rot. Bonds7

About 3-[[4-(dipropylamino)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol

3-[[4-(dipropylamino)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol (PubChem CID 135605075) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is 3-[[4-(dipropylamino)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol.

Molecular Properties

Compound Name3-[[4-(dipropylamino)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol
PubChem CID135605075
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name3-[[4-(dipropylamino)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol
SMILESCCCN(CCC)c1ccc(/N=C/c2c(O)[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C21H24FN3O/c1-3-11-25(12-4-2)17-8-6-16(7-9-17)23-14-19-18-10-5-15(22)13-20(18)24-21(19)26/h5-10,13-14,24,26H,3-4,11-12H2,1-2H3/b23-14+
InChIKeyYCNJNSQJWRIKOM-OEAKJJBVSA-N
XLogP5.39
TPSA51.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.44
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dipropylamino)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol?
The IUPAC name of 3-[[4-(dipropylamino)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol (CID 135605075) is 3-[[4-(dipropylamino)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol.
What is the SMILES notation for 3-[[4-(dipropylamino)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol?
The canonical SMILES for 3-[[4-(dipropylamino)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol is CCCN(CCC)c1ccc(/N=C/c2c(O)[nH]c3cc(F)ccc23)cc1.
What is the InChIKey of 3-[[4-(dipropylamino)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol?
The InChIKey is YCNJNSQJWRIKOM-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-3-11-25(12-4-2)17-8-6-16(7-9-17)23-14-19-18-10-5-15(22)13-20(18)24-21(19)26/h5-10,13-14,24,26H,3-4,11-12H2,1-2H3/b23-14+.
What are the key properties of 3-[[4-(dipropylamino)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol?
3-[[4-(dipropylamino)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol has a molecular weight of 353.44 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dipropylamino)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol is sourced from PubChem (CID 135605075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).