[4-[(3,4-dibromophenyl)methylamino]phenyl]methanol

C14H13Br2NO — CID 113483314

IUPAC[4-[(3,4-dibromophenyl)methylamino]phenyl]methanol
SMILESOCc1ccc(NCc2ccc(Br)c(Br)c2)cc1
InChIInChI=1S/C14H13Br2NO/c15-13-6-3-11(7-14(13)16)8-17-12-4-1-10(9-18)2-5-12/h1-7,17-18H,8-9H2
InChIKeyUKKIFGOGHDBLAA-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.32
Rot. Bonds4

About [4-[(3,4-dibromophenyl)methylamino]phenyl]methanol

[4-[(3,4-dibromophenyl)methylamino]phenyl]methanol (PubChem CID 113483314) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is [4-[(3,4-dibromophenyl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[4-[(3,4-dibromophenyl)methylamino]phenyl]methanol
PubChem CID113483314
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name[4-[(3,4-dibromophenyl)methylamino]phenyl]methanol
SMILESOCc1ccc(NCc2ccc(Br)c(Br)c2)cc1
InChIInChI=1S/C14H13Br2NO/c15-13-6-3-11(7-14(13)16)8-17-12-4-1-10(9-18)2-5-12/h1-7,17-18H,8-9H2
InChIKeyUKKIFGOGHDBLAA-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol
CID 107229828
4-[(3,4-dibromophenyl)methylamino]benzamide
CID 115753010
2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide
CID 115743088
2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol
CID 81002416
2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol
CID 63046915
2-bromo-4-[(4-methylanilino)methyl]phenol
CID 55025634
2-[(3,4-dibromophenyl)methylamino]ethanol
CID 75525100
[3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol
CID 83235833
4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline
CID 43229311
N-[(3,4-dibromophenyl)methyl]ethanamine
CID 115692981
N-[(3,4-dibromophenyl)methyl]-4-fluoro-3-methoxyaniline
CID 114838318
2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol
CID 75525106

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dibromophenyl)methylamino]phenyl]methanol?
The IUPAC name of [4-[(3,4-dibromophenyl)methylamino]phenyl]methanol (CID 113483314) is [4-[(3,4-dibromophenyl)methylamino]phenyl]methanol.
What is the SMILES notation for [4-[(3,4-dibromophenyl)methylamino]phenyl]methanol?
The canonical SMILES for [4-[(3,4-dibromophenyl)methylamino]phenyl]methanol is OCc1ccc(NCc2ccc(Br)c(Br)c2)cc1.
What is the InChIKey of [4-[(3,4-dibromophenyl)methylamino]phenyl]methanol?
The InChIKey is UKKIFGOGHDBLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c15-13-6-3-11(7-14(13)16)8-17-12-4-1-10(9-18)2-5-12/h1-7,17-18H,8-9H2.
What are the key properties of [4-[(3,4-dibromophenyl)methylamino]phenyl]methanol?
[4-[(3,4-dibromophenyl)methylamino]phenyl]methanol has a molecular weight of 371.07 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dibromophenyl)methylamino]phenyl]methanol is sourced from PubChem (CID 113483314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).