(1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine

C15H15Br2NO2 — CID 79403679

IUPAC(1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine
SMILESCOc1cc(Br)c(Oc2ccccc2[C@@H](C)N)cc1Br
InChIInChI=1S/C15H15Br2NO2/c1-9(18)10-5-3-4-6-13(10)20-15-8-11(16)14(19-2)7-12(15)17/h3-9H,18H2,1-2H3/t9-/m1/s1
InChIKeyFAJCOVDDLXZWJC-SECBINFHSA-N
MW401.10 g/mol
LogP5.03
Rot. Bonds4

About (1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine

(1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine (PubChem CID 79403679) has the molecular formula C15H15Br2NO2 and a molecular weight of 401.10 g/mol. Its IUPAC name is (1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine
PubChem CID79403679
Molecular FormulaC15H15Br2NO2
Molecular Weight401.10 g/mol
Exact Mass398.95
IUPAC Name(1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine
SMILESCOc1cc(Br)c(Oc2ccccc2[C@@H](C)N)cc1Br
InChIInChI=1S/C15H15Br2NO2/c1-9(18)10-5-3-4-6-13(10)20-15-8-11(16)14(19-2)7-12(15)17/h3-9H,18H2,1-2H3/t9-/m1/s1
InChIKeyFAJCOVDDLXZWJC-SECBINFHSA-N
XLogP5.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.10
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]propan-1-ol
CID 103960654
1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine
CID 43589925
(4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine
CID 105056652
1-[3-bromo-4-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63533635
2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol
CID 58644855
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 82976372
(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
2-(1-aminoethyl)-5-bromo-4-methoxyphenol
CID 84705553
1-[2-(2,5-difluorophenoxy)phenyl]ethanamine
CID 55168326
1-bromo-4-[bromo-(2-bromophenyl)methyl]-2,5-dimethoxybenzene
CID 105057367
(1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine
CID 28551604
1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine
CID 55021945

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine (CID 79403679) is (1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine is COc1cc(Br)c(Oc2ccccc2[C@@H](C)N)cc1Br.
What is the InChIKey of (1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine?
The InChIKey is FAJCOVDDLXZWJC-SECBINFHSA-N. The full InChI is InChI=1S/C15H15Br2NO2/c1-9(18)10-5-3-4-6-13(10)20-15-8-11(16)14(19-2)7-12(15)17/h3-9H,18H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine?
(1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine has a molecular weight of 401.10 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine is sourced from PubChem (CID 79403679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).