1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol

C18H18N2O — CID 136935292

IUPAC1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol
SMILESCc1ccccc1C/N=C/c1c(O)n(C)c2ccccc12
InChIInChI=1S/C18H18N2O/c1-13-7-3-4-8-14(13)11-19-12-16-15-9-5-6-10-17(15)20(2)18(16)21/h3-10,12,21H,11H2,1-2H3/b19-12+
InChIKeyFKENUBZDLRBSEK-XDHOZWIPSA-N
MW278.35 g/mol
LogP3.81
Rot. Bonds3

About 1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol

1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol (PubChem CID 136935292) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol.

Molecular Properties

Compound Name1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol
PubChem CID136935292
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC Name1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol
SMILESCc1ccccc1C/N=C/c1c(O)n(C)c2ccccc12
InChIInChI=1S/C18H18N2O/c1-13-7-3-4-8-14(13)11-19-12-16-15-9-5-6-10-17(15)20(2)18(16)21/h3-10,12,21H,11H2,1-2H3/b19-12+
InChIKeyFKENUBZDLRBSEK-XDHOZWIPSA-N
XLogP3.81
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol
CID 136995955
3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol
CID 136935313
3-(cycloheptyliminomethyl)-1-methylindol-2-ol
CID 136935322
3-[(4-ethylphenyl)iminomethyl]-1-methylindol-2-ol
CID 136935335
1-methyl-3-[(2-propan-2-yloxyphenyl)iminomethyl]indol-2-ol
CID 136935362
1-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]indol-2-ol
CID 136935383
4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol
CID 135757890
N-[(2-methylphenyl)methyl]butan-1-imine
CID 141218213
methyl 4-chloro-3-[(2-hydroxy-1-methylindol-3-yl)methylideneamino]benzoate
CID 136935377
1-(2-bromo-1-methylindol-3-yl)-N-tert-butylmethanimine
CID 11173871
1-[(2-methoxyphenyl)methyliminomethyl]naphthalen-2-ol
CID 135595588
1-[(2-fluorophenyl)methyliminomethyl]naphthalen-2-ol
CID 135595992

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol?
The IUPAC name of 1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol (CID 136935292) is 1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol.
What is the SMILES notation for 1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol?
The canonical SMILES for 1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol is Cc1ccccc1C/N=C/c1c(O)n(C)c2ccccc12.
What is the InChIKey of 1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol?
The InChIKey is FKENUBZDLRBSEK-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-7-3-4-8-14(13)11-19-12-16-15-9-5-6-10-17(15)20(2)18(16)21/h3-10,12,21H,11H2,1-2H3/b19-12+.
What are the key properties of 1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol?
1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol has a molecular weight of 278.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol is sourced from PubChem (CID 136935292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).