2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol

C14H13Br2NO — CID 63044819

IUPAC2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
SMILESOc1ccc(CNCc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C14H13Br2NO/c15-12-4-1-10(2-5-12)8-17-9-11-3-6-14(18)13(16)7-11/h1-7,17-18H,8-9H2
InChIKeyVAOZFTPYAJSPJH-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.21
Rot. Bonds4

About 2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol

2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol (PubChem CID 63044819) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
PubChem CID63044819
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
SMILESOc1ccc(CNCc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C14H13Br2NO/c15-12-4-1-10(2-5-12)8-17-9-11-3-6-14(18)13(16)7-11/h1-7,17-18H,8-9H2
InChIKeyVAOZFTPYAJSPJH-UHFFFAOYSA-N
XLogP4.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.07
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
CID 107740485
2-bromo-4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenol
CID 60957070
4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
2-bromo-4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 55146378
4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol
CID 60735183
2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol
CID 63323686
2-bromo-4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]phenol
CID 65246469
2-bromo-4-[(pyridazin-3-ylmethylamino)methyl]phenol
CID 106894985
methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate
CID 63045145
2-bromo-4-[(2,2,3,3-tetrafluoropropylamino)methyl]phenol
CID 114169005
2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol
CID 60960746
2-bromo-4-[(2-ethoxyethylamino)methyl]phenol
CID 60956459

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol (CID 63044819) is 2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol is Oc1ccc(CNCc2ccc(Br)cc2)cc1Br.
What is the InChIKey of 2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol?
The InChIKey is VAOZFTPYAJSPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c15-12-4-1-10(2-5-12)8-17-9-11-3-6-14(18)13(16)7-11/h1-7,17-18H,8-9H2.
What are the key properties of 2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol?
2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol has a molecular weight of 371.07 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol is sourced from PubChem (CID 63044819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).