2-[(2-aminophenyl)methyliminomethyl]-4-bromophenol

C14H13BrN2O — CID 139195391

IUPAC2-[(2-aminophenyl)methyliminomethyl]-4-bromophenol
SMILESNc1ccccc1C/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C14H13BrN2O/c15-12-5-6-14(18)11(7-12)9-17-8-10-3-1-2-4-13(10)16/h1-7,9,18H,8,16H2/b17-9+
InChIKeyNYQSZTCTUNFQIT-RQZCQDPDSA-N
MW305.18 g/mol
LogP3.36
Rot. Bonds3

About 2-[(2-aminophenyl)methyliminomethyl]-4-bromophenol

2-[(2-aminophenyl)methyliminomethyl]-4-bromophenol (PubChem CID 139195391) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyliminomethyl]-4-bromophenol.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyliminomethyl]-4-bromophenol
PubChem CID139195391
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name2-[(2-aminophenyl)methyliminomethyl]-4-bromophenol
SMILESNc1ccccc1C/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C14H13BrN2O/c15-12-5-6-14(18)11(7-12)9-17-8-10-3-1-2-4-13(10)16/h1-7,9,18H,8,16H2/b17-9+
InChIKeyNYQSZTCTUNFQIT-RQZCQDPDSA-N
XLogP3.36
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(furan-2-ylmethyliminomethyl)phenol
CID 871214
4-bromo-2-[[2-[3-[2-[[(5-bromo-2-hydroxyphenyl)methylideneamino]methyl]phenoxy]-2-hydroxypropoxy]phenyl]methyliminomethyl]phenol
CID 139205120
4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol
CID 135657334
4-bromo-2-[2-(2-fluorophenyl)ethyliminomethyl]phenol
CID 135758638
4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
CID 139081919
2-(1,3-benzodioxol-5-ylmethyliminomethyl)-4-bromophenol
CID 135936264
4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol
CID 135757890
4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol
CID 136703873
4-bromo-2-[(4-propoxyphenyl)methyliminomethyl]phenol
CID 135629562
5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 3089504
2-[[2-[(dimethylamino)methyl]phenyl]methyliminomethyl]phenol
CID 135829078
2-[[2-(trifluoromethyl)phenyl]methyliminomethyl]phenol
CID 135936259

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyliminomethyl]-4-bromophenol?
The IUPAC name of 2-[(2-aminophenyl)methyliminomethyl]-4-bromophenol (CID 139195391) is 2-[(2-aminophenyl)methyliminomethyl]-4-bromophenol.
What is the SMILES notation for 2-[(2-aminophenyl)methyliminomethyl]-4-bromophenol?
The canonical SMILES for 2-[(2-aminophenyl)methyliminomethyl]-4-bromophenol is Nc1ccccc1C/N=C/c1cc(Br)ccc1O.
What is the InChIKey of 2-[(2-aminophenyl)methyliminomethyl]-4-bromophenol?
The InChIKey is NYQSZTCTUNFQIT-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H13BrN2O/c15-12-5-6-14(18)11(7-12)9-17-8-10-3-1-2-4-13(10)16/h1-7,9,18H,8,16H2/b17-9+.
What are the key properties of 2-[(2-aminophenyl)methyliminomethyl]-4-bromophenol?
2-[(2-aminophenyl)methyliminomethyl]-4-bromophenol has a molecular weight of 305.18 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyliminomethyl]-4-bromophenol is sourced from PubChem (CID 139195391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).