2-[(2-bromophenyl)methoxy]aniline

C13H12BrNO — CID 11208190

IUPAC2-[(2-bromophenyl)methoxy]aniline
SMILESNc1ccccc1OCc1ccccc1Br
InChIInChI=1S/C13H12BrNO/c14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)15/h1-8H,9,15H2
InChIKeyQYJYHEDTIDXBLJ-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.61
Rot. Bonds3

About 2-[(2-bromophenyl)methoxy]aniline

2-[(2-bromophenyl)methoxy]aniline (PubChem CID 11208190) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]aniline.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]aniline
PubChem CID11208190
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name2-[(2-bromophenyl)methoxy]aniline
SMILESNc1ccccc1OCc1ccccc1Br
InChIInChI=1S/C13H12BrNO/c14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)15/h1-8H,9,15H2
InChIKeyQYJYHEDTIDXBLJ-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2-bromophenyl)methoxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-bromophenyl)methoxy]pyridin-3-amine
CID 82828460
2-[(2-bromophenyl)methoxy]-4-methylaniline
CID 24691550
(2-bromophenyl)methyl 3-(2-aminophenoxy)propanoate
CID 61321553
1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol
CID 82804127
3-[(2-bromophenoxy)methyl]-2-fluoroaniline
CID 107347891
4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline
CID 55158064
3-bromo-4-[(2-bromophenyl)methoxy]aniline
CID 82827730
2-[(2-chlorophenyl)methoxy]aniline;hydrochloride
CID 134094943
1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine
CID 54930668
3-amino-4-[(2-bromophenyl)methoxy]benzoic acid
CID 43379750
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methoxy]aniline
CID 61028059
1-bromo-2-[(2-prop-2-enylphenoxy)methyl]benzene
CID 91655599

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]aniline?
The IUPAC name of 2-[(2-bromophenyl)methoxy]aniline (CID 11208190) is 2-[(2-bromophenyl)methoxy]aniline.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]aniline?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]aniline is Nc1ccccc1OCc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]aniline?
The InChIKey is QYJYHEDTIDXBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)15/h1-8H,9,15H2.
What are the key properties of 2-[(2-bromophenyl)methoxy]aniline?
2-[(2-bromophenyl)methoxy]aniline has a molecular weight of 278.15 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]aniline is sourced from PubChem (CID 11208190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).