6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol

C13H16ClN3O — CID 137006375

IUPAC6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol
SMILESCN(C)CC/N=C/c1c(O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C13H16ClN3O/c1-17(2)6-5-15-8-11-10-4-3-9(14)7-12(10)16-13(11)18/h3-4,7-8,16,18H,5-6H2,1-2H3/b15-8+
InChIKeyFMFJQMKRDGSIKC-OVCLIPMQSA-N
MW265.74 g/mol
LogP2.51
Rot. Bonds4

About 6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol

6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol (PubChem CID 137006375) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol
PubChem CID137006375
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol
SMILESCN(C)CC/N=C/c1c(O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C13H16ClN3O/c1-17(2)6-5-15-8-11-10-4-3-9(14)7-12(10)16-13(11)18/h3-4,7-8,16,18H,5-6H2,1-2H3/b15-8+
InChIKeyFMFJQMKRDGSIKC-OVCLIPMQSA-N
XLogP2.51
TPSA51.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-[(2,6-difluorophenyl)iminomethyl]-1H-indol-2-ol
CID 137006510
6-chloro-3-[(2,5-dimethylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006420
6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006440
6-chloro-3-(3,3-dimethylbut-1-enyl)-1H-indol-2-ol
CID 90846710
5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 136996187
6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 137006458
3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol
CID 2256130
3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol
CID 136996625
6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol
CID 136996612
6-chloro-3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 137006478
3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol
CID 2034851
3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol
CID 137006158

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol?
The IUPAC name of 6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol (CID 137006375) is 6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol?
The canonical SMILES for 6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol is CN(C)CC/N=C/c1c(O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol?
The InChIKey is FMFJQMKRDGSIKC-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-17(2)6-5-15-8-11-10-4-3-9(14)7-12(10)16-13(11)18/h3-4,7-8,16,18H,5-6H2,1-2H3/b15-8+.
What are the key properties of 6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol?
6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol has a molecular weight of 265.74 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 137006375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).