[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine

C14H13BrFNO — CID 43531303

IUPAC[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine
SMILESNCc1ccccc1COc1ccc(Br)cc1F
InChIInChI=1S/C14H13BrFNO/c15-12-5-6-14(13(16)7-12)18-9-11-4-2-1-3-10(11)8-17/h1-7H,8-9,17H2
InChIKeyCBHQQYGCTFZDBE-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.63
Rot. Bonds4

About [2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine

[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine (PubChem CID 43531303) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is [2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine
PubChem CID43531303
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine
SMILESNCc1ccccc1COc1ccc(Br)cc1F
InChIInChI=1S/C14H13BrFNO/c15-12-5-6-14(13(16)7-12)18-9-11-4-2-1-3-10(11)8-17/h1-7H,8-9,17H2
InChIKeyCBHQQYGCTFZDBE-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-[(4-bromo-2-fluorophenoxy)methyl]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

[2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine
CID 16791044
N-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62484259
[5-bromo-2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanol
CID 89437129
[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine
CID 82828276
4-bromo-2-fluoro-1-[(2-nitrophenyl)methoxy]benzene
CID 112788058
4-[(4-bromo-2-fluorophenyl)methoxy]-3-fluoroaniline
CID 43381966
[5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine
CID 107558707
3-[(4-bromo-2-fluorophenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107116051
[4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine
CID 43365001
1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 114676917
[2-[(4-bromo-2-fluorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62484613
O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine
CID 83396466

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine?
The IUPAC name of [2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine (CID 43531303) is [2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine is NCc1ccccc1COc1ccc(Br)cc1F.
What is the InChIKey of [2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine?
The InChIKey is CBHQQYGCTFZDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-12-5-6-14(13(16)7-12)18-9-11-4-2-1-3-10(11)8-17/h1-7H,8-9,17H2.
What are the key properties of [2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine?
[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine has a molecular weight of 310.17 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 43531303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).