6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol

C18H18N2O — CID 136996612

IUPAC6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol
SMILESCc1ccc(C/N=C/c2c(O)[nH]c3cc(C)ccc23)cc1
InChIInChI=1S/C18H18N2O/c1-12-3-6-14(7-4-12)10-19-11-16-15-8-5-13(2)9-17(15)20-18(16)21/h3-9,11,20-21H,10H2,1-2H3/b19-11+
InChIKeyYJLPSPJZQKVMEX-YBFXNURJSA-N
MW278.36 g/mol
LogP4.11
Rot. Bonds3

About 6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol

6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol (PubChem CID 136996612) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol
PubChem CID136996612
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol
SMILESCc1ccc(C/N=C/c2c(O)[nH]c3cc(C)ccc23)cc1
InChIInChI=1S/C18H18N2O/c1-12-3-6-14(7-4-12)10-19-11-16-15-8-5-13(2)9-17(15)20-18(16)21/h3-9,11,20-21H,10H2,1-2H3/b19-11+
InChIKeyYJLPSPJZQKVMEX-YBFXNURJSA-N
XLogP4.11
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol
CID 136996625
6-methyl-3-[(2-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 136996645
3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol
CID 137006199
5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol
CID 136996443
3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol
CID 2859784
3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol
CID 137006158
3-[(2-methylphenyl)methyliminomethyl]-1H-indol-2-ol
CID 136995955
6-chloro-3-[(2,5-dimethylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006420
5-bromo-3-(pyridin-4-ylmethyliminomethyl)-1H-indol-2-ol
CID 137006261
6-methyl-3-[(4-piperidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006190
6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol
CID 137006375
2-[(4-methylphenyl)methyliminomethyl]phenol
CID 135657309

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol?
The IUPAC name of 6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol (CID 136996612) is 6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol?
The canonical SMILES for 6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol is Cc1ccc(C/N=C/c2c(O)[nH]c3cc(C)ccc23)cc1.
What is the InChIKey of 6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol?
The InChIKey is YJLPSPJZQKVMEX-YBFXNURJSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-3-6-14(7-4-12)10-19-11-16-15-8-5-13(2)9-17(15)20-18(16)21/h3-9,11,20-21H,10H2,1-2H3/b19-11+.
What are the key properties of 6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol?
6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol has a molecular weight of 278.36 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 136996612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).