2-bromo-6-[2-(dimethylamino)ethyliminomethyl]phenol

C11H15BrN2O — CID 137090728

IUPAC2-bromo-6-[2-(dimethylamino)ethyliminomethyl]phenol
SMILESCN(C)CC/N=C/c1cccc(Br)c1O
InChIInChI=1S/C11H15BrN2O/c1-14(2)7-6-13-8-9-4-3-5-10(12)11(9)15/h3-5,8,15H,6-7H2,1-2H3/b13-8+
InChIKeyFDMABQIFRQOQDB-MDWZMJQESA-N
MW271.16 g/mol
LogP2.14
Rot. Bonds4

About 2-bromo-6-[2-(dimethylamino)ethyliminomethyl]phenol

2-bromo-6-[2-(dimethylamino)ethyliminomethyl]phenol (PubChem CID 137090728) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-bromo-6-[2-(dimethylamino)ethyliminomethyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[2-(dimethylamino)ethyliminomethyl]phenol
PubChem CID137090728
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-bromo-6-[2-(dimethylamino)ethyliminomethyl]phenol
SMILESCN(C)CC/N=C/c1cccc(Br)c1O
InChIInChI=1S/C11H15BrN2O/c1-14(2)7-6-13-8-9-4-3-5-10(12)11(9)15/h3-5,8,15H,6-7H2,1-2H3/b13-8+
InChIKeyFDMABQIFRQOQDB-MDWZMJQESA-N
XLogP2.14
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.14
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

2-[(8-bromonaphthalen-1-yl)methylideneamino]-N,N-dimethylethanamine
CID 132933361
2,6-bis[3-(dimethylamino)propyliminomethyl]phenol
CID 136704302
2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
CID 135509884
2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol
CID 136908274
3-(2-hydroxyethyliminomethyl)benzene-1,2-diol
CID 135744038
2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 5232645
5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol
CID 136879981
N-[2-[2-(dimethylamino)ethyliminomethyl]phenyl]-2,6-di(propan-2-yl)aniline
CID 102262356
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyliminomethyl]-6-methoxyphenol
CID 135855450
1-(2-bromophenyl)-N-butylmethanimine
CID 67388948

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[2-(dimethylamino)ethyliminomethyl]phenol?
The IUPAC name of 2-bromo-6-[2-(dimethylamino)ethyliminomethyl]phenol (CID 137090728) is 2-bromo-6-[2-(dimethylamino)ethyliminomethyl]phenol.
What is the SMILES notation for 2-bromo-6-[2-(dimethylamino)ethyliminomethyl]phenol?
The canonical SMILES for 2-bromo-6-[2-(dimethylamino)ethyliminomethyl]phenol is CN(C)CC/N=C/c1cccc(Br)c1O.
What is the InChIKey of 2-bromo-6-[2-(dimethylamino)ethyliminomethyl]phenol?
The InChIKey is FDMABQIFRQOQDB-MDWZMJQESA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-14(2)7-6-13-8-9-4-3-5-10(12)11(9)15/h3-5,8,15H,6-7H2,1-2H3/b13-8+.
What are the key properties of 2-bromo-6-[2-(dimethylamino)ethyliminomethyl]phenol?
2-bromo-6-[2-(dimethylamino)ethyliminomethyl]phenol has a molecular weight of 271.16 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[2-(dimethylamino)ethyliminomethyl]phenol is sourced from PubChem (CID 137090728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).