(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine

C15H14BrCl2NO — CID 78944107

IUPAC(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14BrCl2NO/c1-9(19)13-6-11(16)3-5-15(13)20-8-10-2-4-12(17)7-14(10)18/h2-7,9H,8,19H2,1H3/t9-/m1/s1
InChIKeyAMAWFIOHTIETSI-SECBINFHSA-N
MW375.09 g/mol
LogP5.35
Rot. Bonds4

About (1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine

(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine (PubChem CID 78944107) has the molecular formula C15H14BrCl2NO and a molecular weight of 375.09 g/mol. Its IUPAC name is (1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
PubChem CID78944107
Molecular FormulaC15H14BrCl2NO
Molecular Weight375.09 g/mol
Exact Mass372.96
IUPAC Name(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14BrCl2NO/c1-9(19)13-6-11(16)3-5-15(13)20-8-10-2-4-12(17)7-14(10)18/h2-7,9H,8,19H2,1H3/t9-/m1/s1
InChIKeyAMAWFIOHTIETSI-SECBINFHSA-N
XLogP5.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.09
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694
(1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 104862353
(1R)-1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615238
1-[5-chloro-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 65318702
1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 62369042
(1S)-1-[4-bromo-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861964
(1S)-1-[4-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 102947100
1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 102855714
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 104862274
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 104862272
(1S)-1-[4-[(4-bromo-2-chlorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 104862282
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 78932662

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine (CID 78944107) is (1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine is C[C@@H](N)c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is AMAWFIOHTIETSI-SECBINFHSA-N. The full InChI is InChI=1S/C15H14BrCl2NO/c1-9(19)13-6-11(16)3-5-15(13)20-8-10-2-4-12(17)7-14(10)18/h2-7,9H,8,19H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine?
(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 375.09 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 78944107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).