(2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine

C15H15Br2NO — CID 65308241

IUPAC(2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(Br)ccc2C)c(Br)c1
InChIInChI=1S/C15H15Br2NO/c1-9-3-4-10(16)7-13(9)15(18)12-6-5-11(19-2)8-14(12)17/h3-8,15H,18H2,1-2H3
InChIKeySMJMKANJPLLBOQ-UHFFFAOYSA-N
MW385.10 g/mol
LogP4.58
Rot. Bonds3

About (2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine

(2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine (PubChem CID 65308241) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine
PubChem CID65308241
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name(2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(Br)ccc2C)c(Br)c1
InChIInChI=1S/C15H15Br2NO/c1-9-3-4-10(16)7-13(9)15(18)12-6-5-11(19-2)8-14(12)17/h3-8,15H,18H2,1-2H3
InChIKeySMJMKANJPLLBOQ-UHFFFAOYSA-N
XLogP4.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.10
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950477
(2,4-dibromophenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 107945310
(2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 107950473
2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene
CID 107958215
1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 65311705
(4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine
CID 65307701
(2-bromo-4-methoxyphenyl)-phenylmethanamine
CID 60785941
1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281
(2-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 60786954
(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine
CID 65307979
(3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 81472440
2-bromo-1-[bromo-(3-bromo-4-methylphenyl)methyl]-4-methoxybenzene
CID 81476572

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine?
The IUPAC name of (2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine (CID 65308241) is (2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine is COc1ccc(C(N)c2cc(Br)ccc2C)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine?
The InChIKey is SMJMKANJPLLBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-9-3-4-10(16)7-13(9)15(18)12-6-5-11(19-2)8-14(12)17/h3-8,15H,18H2,1-2H3.
What are the key properties of (2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine?
(2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine has a molecular weight of 385.10 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine is sourced from PubChem (CID 65308241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).