1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine

C15H14BrClFNO — CID 102855714

IUPAC1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
SMILESCC(N)c1cc(Br)ccc1OCc1cccc(Cl)c1F
InChIInChI=1S/C15H14BrClFNO/c1-9(19)12-7-11(16)5-6-14(12)20-8-10-3-2-4-13(17)15(10)18/h2-7,9H,8,19H2,1H3
InChIKeyMHGKHBISMIPGTL-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.84
Rot. Bonds4

About 1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine

1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 102855714) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID102855714
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
SMILESCC(N)c1cc(Br)ccc1OCc1cccc(Cl)c1F
InChIInChI=1S/C15H14BrClFNO/c1-9(19)12-7-11(16)5-6-14(12)20-8-10-3-2-4-13(17)15(10)18/h2-7,9H,8,19H2,1H3
InChIKeyMHGKHBISMIPGTL-UHFFFAOYSA-N
XLogP4.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine 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

(1R)-1-[5-bromo-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
CID 78936952
1-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 62370026
(1R)-1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615238
1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene
CID 102856373
(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 78944107
5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]benzenecarbothioamide
CID 102855956
1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 62369042
(1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718903
(1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 102856296
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 107305892
1-[2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 102856269

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine (CID 102855714) is 1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine is CC(N)c1cc(Br)ccc1OCc1cccc(Cl)c1F.
What is the InChIKey of 1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is MHGKHBISMIPGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-9(19)12-7-11(16)5-6-14(12)20-8-10-3-2-4-13(17)15(10)18/h2-7,9H,8,19H2,1H3.
What are the key properties of 1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine?
1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 358.64 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 102855714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).