[3-bromo-4-[(4-bromo-2-methylphenoxy)methyl]phenyl]methanamine

C15H15Br2NO — CID 102773542

IUPAC[3-bromo-4-[(4-bromo-2-methylphenoxy)methyl]phenyl]methanamine
SMILESCc1cc(Br)ccc1OCc1ccc(CN)cc1Br
InChIInChI=1S/C15H15Br2NO/c1-10-6-13(16)4-5-15(10)19-9-12-3-2-11(8-18)7-14(12)17/h2-7H,8-9,18H2,1H3
InChIKeyOJAUWXDZBYCBAM-UHFFFAOYSA-N
MW385.10 g/mol
LogP4.56
Rot. Bonds4

About [3-bromo-4-[(4-bromo-2-methylphenoxy)methyl]phenyl]methanamine

[3-bromo-4-[(4-bromo-2-methylphenoxy)methyl]phenyl]methanamine (PubChem CID 102773542) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is [3-bromo-4-[(4-bromo-2-methylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-[(4-bromo-2-methylphenoxy)methyl]phenyl]methanamine
PubChem CID102773542
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name[3-bromo-4-[(4-bromo-2-methylphenoxy)methyl]phenyl]methanamine
SMILESCc1cc(Br)ccc1OCc1ccc(CN)cc1Br
InChIInChI=1S/C15H15Br2NO/c1-10-6-13(16)4-5-15(10)19-9-12-3-2-11(8-18)7-14(12)17/h2-7H,8-9,18H2,1H3
InChIKeyOJAUWXDZBYCBAM-UHFFFAOYSA-N
XLogP4.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.10
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[(4-bromo-2-methylphenoxy)methyl]aniline
CID 114380845
[3-bromo-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine
CID 102773013
2-bromo-5-[(4-bromo-2-methylphenoxy)methyl]aniline
CID 115557546
[4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine
CID 114479347
[3-bromo-4-[(2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 102773232
[3-bromo-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]methanamine
CID 102772276
1-[3-bromo-4-[(4-fluoro-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 102773941
[3-bromo-4-[(2-butan-2-ylphenoxy)methyl]phenyl]methanamine
CID 102773238
[3-bromo-4-[(3,5-difluorophenoxy)methyl]phenyl]methanamine
CID 102773521
2-[(4-bromo-2-methylphenoxy)methyl]-4-chloroaniline
CID 79582431
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
[3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine
CID 107283560

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(4-bromo-2-methylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [3-bromo-4-[(4-bromo-2-methylphenoxy)methyl]phenyl]methanamine (CID 102773542) is [3-bromo-4-[(4-bromo-2-methylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-[(4-bromo-2-methylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [3-bromo-4-[(4-bromo-2-methylphenoxy)methyl]phenyl]methanamine is Cc1cc(Br)ccc1OCc1ccc(CN)cc1Br.
What is the InChIKey of [3-bromo-4-[(4-bromo-2-methylphenoxy)methyl]phenyl]methanamine?
The InChIKey is OJAUWXDZBYCBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-10-6-13(16)4-5-15(10)19-9-12-3-2-11(8-18)7-14(12)17/h2-7H,8-9,18H2,1H3.
What are the key properties of [3-bromo-4-[(4-bromo-2-methylphenoxy)methyl]phenyl]methanamine?
[3-bromo-4-[(4-bromo-2-methylphenoxy)methyl]phenyl]methanamine has a molecular weight of 385.10 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[(4-bromo-2-methylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 102773542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).