3-[[4-[methoxymethyl(propyl)amino]phenyl]iminomethyl]-1H-indol-2-ol

C20H23N3O2 — CID 135605031

IUPAC3-[[4-[methoxymethyl(propyl)amino]phenyl]iminomethyl]-1H-indol-2-ol
SMILESCCCN(COC)c1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C20H23N3O2/c1-3-12-23(14-25-2)16-10-8-15(9-11-16)21-13-18-17-6-4-5-7-19(17)22-20(18)24/h4-11,13,22,24H,3,12,14H2,1-2H3/b21-13+
InChIKeyZAPUCRMIGXLBLT-FYJGNVAPSA-N
MW337.42 g/mol
LogP4.44
Rot. Bonds7

About 3-[[4-[methoxymethyl(propyl)amino]phenyl]iminomethyl]-1H-indol-2-ol

3-[[4-[methoxymethyl(propyl)amino]phenyl]iminomethyl]-1H-indol-2-ol (PubChem CID 135605031) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[[4-[methoxymethyl(propyl)amino]phenyl]iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[[4-[methoxymethyl(propyl)amino]phenyl]iminomethyl]-1H-indol-2-ol
PubChem CID135605031
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-[[4-[methoxymethyl(propyl)amino]phenyl]iminomethyl]-1H-indol-2-ol
SMILESCCCN(COC)c1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C20H23N3O2/c1-3-12-23(14-25-2)16-10-8-15(9-11-16)21-13-18-17-6-4-5-7-19(17)22-20(18)24/h4-11,13,22,24H,3,12,14H2,1-2H3/b21-13+
InChIKeyZAPUCRMIGXLBLT-FYJGNVAPSA-N
XLogP4.44
TPSA60.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(dipropylamino)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol
CID 135605075
3-[(4-hydroxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135433426
3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605056
3-[[4-methoxy-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605514
3-[[4-(2-methoxyethylamino)-3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605232
3-[3-(phenyliminomethyl)-1H-indol-2-yl]-1H-indol-2-ol
CID 168852579
1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone
CID 3587554
3-[[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]iminomethyl]-6-fluoro-1H-indol-2-ol
CID 135605206
methyl 2-hydroxy-3-[[4-(methylamino)phenyl]iminomethyl]-1H-indole-6-carboxylate
CID 138462659
3-[(3-methyl-4-pyrrolidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135605363
3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol
CID 2859784
3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996528

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[methoxymethyl(propyl)amino]phenyl]iminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[[4-[methoxymethyl(propyl)amino]phenyl]iminomethyl]-1H-indol-2-ol (CID 135605031) is 3-[[4-[methoxymethyl(propyl)amino]phenyl]iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[[4-[methoxymethyl(propyl)amino]phenyl]iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[[4-[methoxymethyl(propyl)amino]phenyl]iminomethyl]-1H-indol-2-ol is CCCN(COC)c1ccc(/N=C/c2c(O)[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[[4-[methoxymethyl(propyl)amino]phenyl]iminomethyl]-1H-indol-2-ol?
The InChIKey is ZAPUCRMIGXLBLT-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-12-23(14-25-2)16-10-8-15(9-11-16)21-13-18-17-6-4-5-7-19(17)22-20(18)24/h4-11,13,22,24H,3,12,14H2,1-2H3/b21-13+.
What are the key properties of 3-[[4-[methoxymethyl(propyl)amino]phenyl]iminomethyl]-1H-indol-2-ol?
3-[[4-[methoxymethyl(propyl)amino]phenyl]iminomethyl]-1H-indol-2-ol has a molecular weight of 337.42 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[methoxymethyl(propyl)amino]phenyl]iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 135605031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).