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

C15H14BrCl2NO — CID 102947100

IUPAC(1S)-1-[4-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1ccc(Br)cc1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14BrCl2NO/c1-9(19)13-4-2-11(16)7-15(13)20-8-10-6-12(17)3-5-14(10)18/h2-7,9H,8,19H2,1H3/t9-/m0/s1
InChIKeyVXFPZHPRGZZFTN-VIFPVBQESA-N
MW375.09 g/mol
LogP5.35
Rot. Bonds4

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

(1S)-1-[4-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine (PubChem CID 102947100) has the molecular formula C15H14BrCl2NO and a molecular weight of 375.09 g/mol. Its IUPAC name is (1S)-1-[4-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
PubChem CID102947100
Molecular FormulaC15H14BrCl2NO
Molecular Weight375.09 g/mol
Exact Mass372.96
IUPAC Name(1S)-1-[4-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1ccc(Br)cc1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14BrCl2NO/c1-9(19)13-4-2-11(16)7-15(13)20-8-10-6-12(17)3-5-14(10)18/h2-7,9H,8,19H2,1H3/t9-/m0/s1
InChIKeyVXFPZHPRGZZFTN-VIFPVBQESA-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

(1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103046500
(1R)-1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 79005256
1-[5-chloro-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 65318702
(1S)-1-[4-bromo-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861964
(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 78944107
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 104862274
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 82975522
(1R)-1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615238
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 104862272
(1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine
CID 102946671
[5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine
CID 65318162
(1S)-1-[4-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 102947145

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine (CID 102947100) is (1S)-1-[4-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine is C[C@H](N)c1ccc(Br)cc1OCc1cc(Cl)ccc1Cl.
What is the InChIKey of (1S)-1-[4-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is VXFPZHPRGZZFTN-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14BrCl2NO/c1-9(19)13-4-2-11(16)7-15(13)20-8-10-6-12(17)3-5-14(10)18/h2-7,9H,8,19H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine?
(1S)-1-[4-bromo-2-[(2,5-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 (1S)-1-[4-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 102947100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).