2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine

C16H17Br2NO — CID 107984787

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)c1cccc(C)c1Br
InChIInChI=1S/C16H17Br2NO/c1-10-4-3-5-13(16(10)18)14(19)9-11-8-12(17)6-7-15(11)20-2/h3-8,14H,9,19H2,1-2H3
InChIKeyCOXQUMLBZIPBMJ-UHFFFAOYSA-N
MW399.13 g/mol
LogP4.77
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine

2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine (PubChem CID 107984787) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine
PubChem CID107984787
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)c1cccc(C)c1Br
InChIInChI=1S/C16H17Br2NO/c1-10-4-3-5-13(16(10)18)14(19)9-11-8-12(17)6-7-15(11)20-2/h3-8,14H,9,19H2,1-2H3
InChIKeyCOXQUMLBZIPBMJ-UHFFFAOYSA-N
XLogP4.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.13
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826789
4-bromo-2-[3-bromo-2-(2-methylphenyl)propyl]-1-methoxybenzene
CID 79419172
1-(2-bromo-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826712
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105110402
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
2-bromo-1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-3-methylbenzene
CID 107983422
2-(5-bromo-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
CID 115817218
1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826307
2-(5-bromo-2-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817066
2-bromo-1-[bromo-(4-methoxy-3-methylphenyl)methyl]-3-methylbenzene
CID 114023996

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine (CID 107984787) is 2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine is COc1ccc(Br)cc1CC(N)c1cccc(C)c1Br.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine?
The InChIKey is COXQUMLBZIPBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO/c1-10-4-3-5-13(16(10)18)14(19)9-11-8-12(17)6-7-15(11)20-2/h3-8,14H,9,19H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine?
2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine has a molecular weight of 399.13 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine is sourced from PubChem (CID 107984787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).