2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine

C15H14BrCl2NO — CID 107309269

IUPAC2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1cc(Br)ccc1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14BrCl2NO/c16-12-4-5-14(10(8-12)6-7-19)20-9-11-2-1-3-13(17)15(11)18/h1-5,8H,6-7,9,19H2
InChIKeyMEJWOZQVZJJYIP-UHFFFAOYSA-N
MW375.09 g/mol
LogP4.84
Rot. Bonds5

About 2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine

2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine (PubChem CID 107309269) has the molecular formula C15H14BrCl2NO and a molecular weight of 375.09 g/mol. Its IUPAC name is 2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine
PubChem CID107309269
Molecular FormulaC15H14BrCl2NO
Molecular Weight375.09 g/mol
Exact Mass372.96
IUPAC Name2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1cc(Br)ccc1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14BrCl2NO/c16-12-4-5-14(10(8-12)6-7-19)20-9-11-2-1-3-13(17)15(11)18/h1-5,8H,6-7,9,19H2
InChIKeyMEJWOZQVZJJYIP-UHFFFAOYSA-N
XLogP4.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.09
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 60904821
2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619479
2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 104794308
2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107699919
2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321633
1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 107305892
1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene
CID 102856373
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686326
3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866319
2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]ethanamine
CID 115464873
[5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine
CID 65318162
2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine
CID 60905064

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine (CID 107309269) is 2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine is NCCc1cc(Br)ccc1OCc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is MEJWOZQVZJJYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO/c16-12-4-5-14(10(8-12)6-7-19)20-9-11-2-1-3-13(17)15(11)18/h1-5,8H,6-7,9,19H2.
What are the key properties of 2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine?
2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 375.09 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 107309269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).