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

C12H16BrClN2O — CID 135912099

IUPAC2-bromo-4-chloro-6-[2-(propylamino)ethyliminomethyl]phenol
SMILESCCCNCC/N=C/c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C12H16BrClN2O/c1-2-3-15-4-5-16-8-9-6-10(14)7-11(13)12(9)17/h6-8,15,17H,2-5H2,1H3/b16-8+
InChIKeyQWHOPYSCSSGFLT-LZYBPNLTSA-N
MW319.63 g/mol
LogP3.23
Rot. Bonds6

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

2-bromo-4-chloro-6-[2-(propylamino)ethyliminomethyl]phenol (PubChem CID 135912099) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-[2-(propylamino)ethyliminomethyl]phenol.

Molecular Properties

Compound Name2-bromo-4-chloro-6-[2-(propylamino)ethyliminomethyl]phenol
PubChem CID135912099
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name2-bromo-4-chloro-6-[2-(propylamino)ethyliminomethyl]phenol
SMILESCCCNCC/N=C/c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C12H16BrClN2O/c1-2-3-15-4-5-16-8-9-6-10(14)7-11(13)12(9)17/h6-8,15,17H,2-5H2,1H3/b16-8+
InChIKeyQWHOPYSCSSGFLT-LZYBPNLTSA-N
XLogP3.23
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-hydroxyethylamino)ethyliminomethyl]phenol
CID 139201615
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
N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide
CID 727419
2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol
CID 3884626
2,4-dibromo-6-(ethyliminomethyl)phenol
CID 139079595
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592991
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 136826715
2-bromo-4-chloro-6-[(E)-[[2-(diethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 135502998
N-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide
CID 3936044
2,6-dibromo-4-chlorophenol
CID 21394

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-6-[2-(propylamino)ethyliminomethyl]phenol?
The IUPAC name of 2-bromo-4-chloro-6-[2-(propylamino)ethyliminomethyl]phenol (CID 135912099) is 2-bromo-4-chloro-6-[2-(propylamino)ethyliminomethyl]phenol.
What is the SMILES notation for 2-bromo-4-chloro-6-[2-(propylamino)ethyliminomethyl]phenol?
The canonical SMILES for 2-bromo-4-chloro-6-[2-(propylamino)ethyliminomethyl]phenol is CCCNCC/N=C/c1cc(Cl)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-chloro-6-[2-(propylamino)ethyliminomethyl]phenol?
The InChIKey is QWHOPYSCSSGFLT-LZYBPNLTSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-2-3-15-4-5-16-8-9-6-10(14)7-11(13)12(9)17/h6-8,15,17H,2-5H2,1H3/b16-8+.
What are the key properties of 2-bromo-4-chloro-6-[2-(propylamino)ethyliminomethyl]phenol?
2-bromo-4-chloro-6-[2-(propylamino)ethyliminomethyl]phenol has a molecular weight of 319.63 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6-[2-(propylamino)ethyliminomethyl]phenol is sourced from PubChem (CID 135912099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).