[2-(3-bromophenoxy)phenyl]methanamine

C13H12BrNO — CID 28966197

IUPAC[2-(3-bromophenoxy)phenyl]methanamine
SMILESNCc1ccccc1Oc1cccc(Br)c1
InChIInChI=1S/C13H12BrNO/c14-11-5-3-6-12(8-11)16-13-7-2-1-4-10(13)9-15/h1-8H,9,15H2
InChIKeyVTLCZCXOSWNDQV-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.70
Rot. Bonds3

About [2-(3-bromophenoxy)phenyl]methanamine

[2-(3-bromophenoxy)phenyl]methanamine (PubChem CID 28966197) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is [2-(3-bromophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3-bromophenoxy)phenyl]methanamine
PubChem CID28966197
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name[2-(3-bromophenoxy)phenyl]methanamine
SMILESNCc1ccccc1Oc1cccc(Br)c1
InChIInChI=1S/C13H12BrNO/c14-11-5-3-6-12(8-11)16-13-7-2-1-4-10(13)9-15/h1-8H,9,15H2
InChIKeyVTLCZCXOSWNDQV-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(3-bromophenoxy)phenyl]methanamine 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

[5-bromo-2-(3-bromophenoxy)phenyl]methanamine
CID 114889905
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404
(2-naphthalen-2-yloxyphenyl)methanamine
CID 19627401
[2-[3-(methoxymethyl)phenoxy]phenyl]methanamine
CID 63986542
[2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine
CID 113385388
[2-(3-methylsulfonylphenoxy)phenyl]methanamine
CID 43806812
[5-bromo-2-(3-bromophenoxy)phenyl]methanol
CID 114061472
2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine
CID 114066145
[2-[2-(aminomethyl)-5-bromophenoxy]phenyl]methanol
CID 63654318
(4-bromo-2-naphthalen-2-yloxyphenyl)methanamine
CID 43364990
[2-(3,5-dichlorophenoxy)phenyl]methanamine
CID 43622066
[2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride
CID 19926666

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenoxy)phenyl]methanamine?
The IUPAC name of [2-(3-bromophenoxy)phenyl]methanamine (CID 28966197) is [2-(3-bromophenoxy)phenyl]methanamine.
What is the SMILES notation for [2-(3-bromophenoxy)phenyl]methanamine?
The canonical SMILES for [2-(3-bromophenoxy)phenyl]methanamine is NCc1ccccc1Oc1cccc(Br)c1.
What is the InChIKey of [2-(3-bromophenoxy)phenyl]methanamine?
The InChIKey is VTLCZCXOSWNDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c14-11-5-3-6-12(8-11)16-13-7-2-1-4-10(13)9-15/h1-8H,9,15H2.
What are the key properties of [2-(3-bromophenoxy)phenyl]methanamine?
[2-(3-bromophenoxy)phenyl]methanamine has a molecular weight of 278.15 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenoxy)phenyl]methanamine is sourced from PubChem (CID 28966197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).