(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine

C15H15Br2NO2 — CID 104707913

IUPAC(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
SMILESCOc1ccc(Oc2ccc([C@H](C)N)cc2Br)c(Br)c1
InChIInChI=1S/C15H15Br2NO2/c1-9(18)10-3-5-14(12(16)7-10)20-15-6-4-11(19-2)8-13(15)17/h3-9H,18H2,1-2H3/t9-/m0/s1
InChIKeyBNATXRNGDJPBNU-VIFPVBQESA-N
MW401.10 g/mol
LogP5.03
Rot. Bonds4

About (1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine

(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine (PubChem CID 104707913) has the molecular formula C15H15Br2NO2 and a molecular weight of 401.10 g/mol. Its IUPAC name is (1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
PubChem CID104707913
Molecular FormulaC15H15Br2NO2
Molecular Weight401.10 g/mol
Exact Mass398.95
IUPAC Name(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
SMILESCOc1ccc(Oc2ccc([C@H](C)N)cc2Br)c(Br)c1
InChIInChI=1S/C15H15Br2NO2/c1-9(18)10-3-5-14(12(16)7-10)20-15-6-4-11(19-2)8-13(15)17/h3-9H,18H2,1-2H3/t9-/m0/s1
InChIKeyBNATXRNGDJPBNU-VIFPVBQESA-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

Analyze (1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine
CID 78937846
1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine
CID 62911214
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
3-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]-5-methoxybenzonitrile
CID 103567840
(1S)-1-[3-bromo-4-(4-ethoxyphenoxy)phenyl]ethanamine
CID 78937841
[4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol
CID 78938273
(1R)-1-[3-bromo-4-(2,4,5-trichlorophenoxy)phenyl]ethanamine
CID 78944496
(1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 78944452
(1R)-1-[3-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102982249
1-[3-bromo-4-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63533635
(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938373
(1S)-1-[3-bromo-4-(4-propoxyphenoxy)phenyl]ethanamine
CID 63532122

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine (CID 104707913) is (1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine is COc1ccc(Oc2ccc([C@H](C)N)cc2Br)c(Br)c1.
What is the InChIKey of (1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine?
The InChIKey is BNATXRNGDJPBNU-VIFPVBQESA-N. The full InChI is InChI=1S/C15H15Br2NO2/c1-9(18)10-3-5-14(12(16)7-10)20-15-6-4-11(19-2)8-13(15)17/h3-9H,18H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine?
(1S)-1-[3-bromo-4-(2-bromo-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 (1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine is sourced from PubChem (CID 104707913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).