1-methyl-3-[(2-propan-2-yloxyphenyl)iminomethyl]indol-2-ol

C19H20N2O2 — CID 136935362

IUPAC1-methyl-3-[(2-propan-2-yloxyphenyl)iminomethyl]indol-2-ol
SMILESCC(C)Oc1ccccc1/N=C/c1c(O)n(C)c2ccccc12
InChIInChI=1S/C19H20N2O2/c1-13(2)23-18-11-7-5-9-16(18)20-12-15-14-8-4-6-10-17(14)21(3)19(15)22/h4-13,22H,1-3H3/b20-12+
InChIKeyTZCQPUUVFKFYRV-UDWIEESQSA-N
MW308.38 g/mol
LogP4.42
Rot. Bonds4

About 1-methyl-3-[(2-propan-2-yloxyphenyl)iminomethyl]indol-2-ol

1-methyl-3-[(2-propan-2-yloxyphenyl)iminomethyl]indol-2-ol (PubChem CID 136935362) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-methyl-3-[(2-propan-2-yloxyphenyl)iminomethyl]indol-2-ol.

Molecular Properties

Compound Name1-methyl-3-[(2-propan-2-yloxyphenyl)iminomethyl]indol-2-ol
PubChem CID136935362
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-methyl-3-[(2-propan-2-yloxyphenyl)iminomethyl]indol-2-ol
SMILESCC(C)Oc1ccccc1/N=C/c1c(O)n(C)c2ccccc12
InChIInChI=1S/C19H20N2O2/c1-13(2)23-18-11-7-5-9-16(18)20-12-15-14-8-4-6-10-17(14)21(3)19(15)22/h4-13,22H,1-3H3/b20-12+
InChIKeyTZCQPUUVFKFYRV-UDWIEESQSA-N
XLogP4.42
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(4-ethylphenyl)iminomethyl]-1-methylindol-2-ol
CID 136935335
methyl 4-chloro-3-[(2-hydroxy-1-methylindol-3-yl)methylideneamino]benzoate
CID 136935377
3-(cycloheptyliminomethyl)-1-methylindol-2-ol
CID 136935322
1-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]indol-2-ol
CID 136935383
1-[3-hydroxy-2-[(2-methoxyphenyl)iminomethyl]indol-1-yl]ethanone
CID 177379986
6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 135669043
3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol
CID 136935313
4-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxy-2-(2-methoxyphenyl)isoquinolin-1-one
CID 3431171
1-(1-methyl-4-propan-2-yloxyindol-2-yl)ethanone
CID 83918556
5-[[2-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]phenyl]iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 5080155
4-[(2,4-dimethoxyphenyl)iminomethyl]-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one
CID 135874190
3-[(2-propan-2-yloxyphenyl)diazenyl]pentane-2,4-dione
CID 91483530

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-propan-2-yloxyphenyl)iminomethyl]indol-2-ol?
The IUPAC name of 1-methyl-3-[(2-propan-2-yloxyphenyl)iminomethyl]indol-2-ol (CID 136935362) is 1-methyl-3-[(2-propan-2-yloxyphenyl)iminomethyl]indol-2-ol.
What is the SMILES notation for 1-methyl-3-[(2-propan-2-yloxyphenyl)iminomethyl]indol-2-ol?
The canonical SMILES for 1-methyl-3-[(2-propan-2-yloxyphenyl)iminomethyl]indol-2-ol is CC(C)Oc1ccccc1/N=C/c1c(O)n(C)c2ccccc12.
What is the InChIKey of 1-methyl-3-[(2-propan-2-yloxyphenyl)iminomethyl]indol-2-ol?
The InChIKey is TZCQPUUVFKFYRV-UDWIEESQSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13(2)23-18-11-7-5-9-16(18)20-12-15-14-8-4-6-10-17(14)21(3)19(15)22/h4-13,22H,1-3H3/b20-12+.
What are the key properties of 1-methyl-3-[(2-propan-2-yloxyphenyl)iminomethyl]indol-2-ol?
1-methyl-3-[(2-propan-2-yloxyphenyl)iminomethyl]indol-2-ol has a molecular weight of 308.38 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-propan-2-yloxyphenyl)iminomethyl]indol-2-ol is sourced from PubChem (CID 136935362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).