(1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine

C16H17Br2NO2 — CID 65322330

IUPAC(1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1ccc(Br)c(COc2ccc(Br)cc2[C@@H](C)N)c1
InChIInChI=1S/C16H17Br2NO2/c1-10(19)14-8-12(17)3-6-16(14)21-9-11-7-13(20-2)4-5-15(11)18/h3-8,10H,9,19H2,1-2H3/t10-/m1/s1
InChIKeyKZCQYSQOMRIQHE-SNVBAGLBSA-N
MW415.13 g/mol
LogP4.82
Rot. Bonds5

About (1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine

(1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine (PubChem CID 65322330) has the molecular formula C16H17Br2NO2 and a molecular weight of 415.13 g/mol. Its IUPAC name is (1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine
PubChem CID65322330
Molecular FormulaC16H17Br2NO2
Molecular Weight415.13 g/mol
Exact Mass412.96
IUPAC Name(1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1ccc(Br)c(COc2ccc(Br)cc2[C@@H](C)N)c1
InChIInChI=1S/C16H17Br2NO2/c1-10(19)14-8-12(17)3-6-16(14)21-9-11-7-13(20-2)4-5-15(11)18/h3-8,10H,9,19H2,1-2H3/t10-/m1/s1
InChIKeyKZCQYSQOMRIQHE-SNVBAGLBSA-N
XLogP4.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.13
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorophenyl]ethanamine
CID 79005238
(1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718303
5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]benzenecarbothioamide
CID 83135882
(1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol
CID 65323216
1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine
CID 65365311
(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 78944107
1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 62369042
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline
CID 65322224
(1R)-1-[5-bromo-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
CID 78936952
1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 63499604
2-[(2-bromo-5-methoxyphenyl)methoxy]-5-fluoroaniline
CID 65322510

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine (CID 65322330) is (1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine is COc1ccc(Br)c(COc2ccc(Br)cc2[C@@H](C)N)c1.
What is the InChIKey of (1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine?
The InChIKey is KZCQYSQOMRIQHE-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17Br2NO2/c1-10(19)14-8-12(17)3-6-16(14)21-9-11-7-13(20-2)4-5-15(11)18/h3-8,10H,9,19H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine?
(1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine has a molecular weight of 415.13 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 65322330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).