(1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine

C15H15BrClNO — CID 78932662

IUPAC(1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine
SMILESC[C@H](N)c1cc(Cl)ccc1OCc1cccc(Br)c1
InChIInChI=1S/C15H15BrClNO/c1-10(18)14-8-13(17)5-6-15(14)19-9-11-3-2-4-12(16)7-11/h2-8,10H,9,18H2,1H3/t10-/m0/s1
InChIKeyRHEUCGXIXUWSRT-JTQLQIEISA-N
MW340.65 g/mol
LogP4.70
Rot. Bonds4

About (1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine

(1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine (PubChem CID 78932662) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is (1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine
PubChem CID78932662
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name(1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine
SMILESC[C@H](N)c1cc(Cl)ccc1OCc1cccc(Br)c1
InChIInChI=1S/C15H15BrClNO/c1-10(18)14-8-13(17)5-6-15(14)19-9-11-3-2-4-12(16)7-11/h2-8,10H,9,18H2,1H3/t10-/m0/s1
InChIKeyRHEUCGXIXUWSRT-JTQLQIEISA-N
XLogP4.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 60887289
1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63499414
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
(1S)-1-[5-chloro-2-[(3,4-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78932855
(1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63485360
1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 62073872
(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 63367090
1-[5-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107879124
(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 78944107
(1R)-1-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethanol
CID 63364382
1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
CID 82823693

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine (CID 78932662) is (1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine is C[C@H](N)c1cc(Cl)ccc1OCc1cccc(Br)c1.
What is the InChIKey of (1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine?
The InChIKey is RHEUCGXIXUWSRT-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-10(18)14-8-13(17)5-6-15(14)19-9-11-3-2-4-12(16)7-11/h2-8,10H,9,18H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine?
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine has a molecular weight of 340.65 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine is sourced from PubChem (CID 78932662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).