4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol

C15H15Br2NO2 — CID 115603288

IUPAC4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol
SMILESCOc1c(Br)cc(CNCc2ccc(O)cc2)cc1Br
InChIInChI=1S/C15H15Br2NO2/c1-20-15-13(16)6-11(7-14(15)17)9-18-8-10-2-4-12(19)5-3-10/h2-7,18-19H,8-9H2,1H3
InChIKeyTYZNMFIWFZRZGJ-UHFFFAOYSA-N
MW401.10 g/mol
LogP4.22
Rot. Bonds5

About 4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol

4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol (PubChem CID 115603288) has the molecular formula C15H15Br2NO2 and a molecular weight of 401.10 g/mol. Its IUPAC name is 4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol
PubChem CID115603288
Molecular FormulaC15H15Br2NO2
Molecular Weight401.10 g/mol
Exact Mass398.95
IUPAC Name4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol
SMILESCOc1c(Br)cc(CNCc2ccc(O)cc2)cc1Br
InChIInChI=1S/C15H15Br2NO2/c1-20-15-13(16)6-11(7-14(15)17)9-18-8-10-2-4-12(19)5-3-10/h2-7,18-19H,8-9H2,1H3
InChIKeyTYZNMFIWFZRZGJ-UHFFFAOYSA-N
XLogP4.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.10
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-thiophen-3-ylmethanamine
CID 60776937
3-[(3,5-dibromo-4-methoxyphenyl)methylamino]propan-1-ol
CID 43770585
2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
CID 107740485
2-chloro-N-[(3,5-dibromo-4-methoxyphenyl)methyl]prop-2-en-1-amine
CID 115702633
1-cyclobutyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine
CID 43775196
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine
CID 43612705
3-[(3,5-dibromo-4-methoxyphenyl)methylamino]propanoic acid
CID 43774814
[4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol
CID 107230240
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569070
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63464064
4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352809

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol?
The IUPAC name of 4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol (CID 115603288) is 4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol.
What is the SMILES notation for 4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol?
The canonical SMILES for 4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol is COc1c(Br)cc(CNCc2ccc(O)cc2)cc1Br.
What is the InChIKey of 4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol?
The InChIKey is TYZNMFIWFZRZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2/c1-20-15-13(16)6-11(7-14(15)17)9-18-8-10-2-4-12(19)5-3-10/h2-7,18-19H,8-9H2,1H3.
What are the key properties of 4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol?
4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol has a molecular weight of 401.10 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol is sourced from PubChem (CID 115603288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).