2-bromo-4-chloro-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol

C11H14BrClN2O2 — CID 139201615

IUPAC2-bromo-4-chloro-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
SMILESOCCNCC/N=C/c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C11H14BrClN2O2/c12-10-6-9(13)5-8(11(10)17)7-15-2-1-14-3-4-16/h5-7,14,16-17H,1-4H2/b15-7+
InChIKeyTZEQMDSHOHTVNZ-VIZOYTHASA-N
MW321.60 g/mol
LogP1.81
Rot. Bonds6

About 2-bromo-4-chloro-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol

2-bromo-4-chloro-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol (PubChem CID 139201615) has the molecular formula C11H14BrClN2O2 and a molecular weight of 321.60 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol.

Molecular Properties

Compound Name2-bromo-4-chloro-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
PubChem CID139201615
Molecular FormulaC11H14BrClN2O2
Molecular Weight321.60 g/mol
Exact Mass319.99
IUPAC Name2-bromo-4-chloro-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
SMILESOCCNCC/N=C/c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C11H14BrClN2O2/c12-10-6-9(13)5-8(11(10)17)7-15-2-1-14-3-4-16/h5-7,14,16-17H,1-4H2/b15-7+
InChIKeyTZEQMDSHOHTVNZ-VIZOYTHASA-N
XLogP1.81
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.60
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-chloro-6-[2-(propylamino)ethyliminomethyl]phenol
CID 135912099
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid
CID 136811178
2-bromo-4-chloro-6-methanehydrazonoylphenol
CID 136503874
2-bromo-6-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]imidazolidin-1-yl]ethyl]imidazolidin-1-yl]ethyliminomethyl]-4-chlorophenol
CID 136753141
2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
CID 139082337
2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol
CID 3884626
copper;4-bromo-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenolate;acetate
CID 56849889
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592991
N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide
CID 727419
2,6-dibromo-4-chlorophenol
CID 21394
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 136826715
5-hexoxy-2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
CID 136808055

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol?
The IUPAC name of 2-bromo-4-chloro-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol (CID 139201615) is 2-bromo-4-chloro-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol.
What is the SMILES notation for 2-bromo-4-chloro-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol?
The canonical SMILES for 2-bromo-4-chloro-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol is OCCNCC/N=C/c1cc(Cl)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-chloro-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol?
The InChIKey is TZEQMDSHOHTVNZ-VIZOYTHASA-N. The full InChI is InChI=1S/C11H14BrClN2O2/c12-10-6-9(13)5-8(11(10)17)7-15-2-1-14-3-4-16/h5-7,14,16-17H,1-4H2/b15-7+.
What are the key properties of 2-bromo-4-chloro-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol?
2-bromo-4-chloro-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol has a molecular weight of 321.60 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol is sourced from PubChem (CID 139201615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).