[4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol

C15H15Br2NO — CID 61415453

IUPAC[4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol
SMILESCN(Cc1ccc(Br)cc1)c1cc(Br)ccc1CO
InChIInChI=1S/C15H15Br2NO/c1-18(9-11-2-5-13(16)6-3-11)15-8-14(17)7-4-12(15)10-19/h2-8,19H,9-10H2,1H3
InChIKeyVAXHOMPCMTVJFF-UHFFFAOYSA-N
MW385.10 g/mol
LogP4.34
Rot. Bonds4

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

[4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol (PubChem CID 61415453) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is [4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol
PubChem CID61415453
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name[4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol
SMILESCN(Cc1ccc(Br)cc1)c1cc(Br)ccc1CO
InChIInChI=1S/C15H15Br2NO/c1-18(9-11-2-5-13(16)6-3-11)15-8-14(17)7-4-12(15)10-19/h2-8,19H,9-10H2,1H3
InChIKeyVAXHOMPCMTVJFF-UHFFFAOYSA-N
XLogP4.34
TPSA23.47 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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol
CID 61415401
[4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol
CID 114845317
2-[5-bromo-2-(hydroxymethyl)-N-methylanilino]-N,N-dimethylacetamide
CID 43375136
2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 63783047
2-(aminomethyl)-4-bromo-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 114889527
2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 114861618
1-[5-bromo-2-(hydroxymethyl)-N-methylanilino]-3-methoxypropan-2-ol
CID 54994295
[4-bromo-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
CID 63273878
(1R)-1-[4-[(4-bromophenyl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 63370984
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-(chloromethyl)-N-methylaniline
CID 63540822
2-[2-(aminomethyl)-5-bromo-N-methylanilino]ethanol
CID 60961571
[4-bromo-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]methanol
CID 79319074

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol?
The IUPAC name of [4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol (CID 61415453) is [4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol.
What is the SMILES notation for [4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol?
The canonical SMILES for [4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol is CN(Cc1ccc(Br)cc1)c1cc(Br)ccc1CO.
What is the InChIKey of [4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol?
The InChIKey is VAXHOMPCMTVJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-18(9-11-2-5-13(16)6-3-11)15-8-14(17)7-4-12(15)10-19/h2-8,19H,9-10H2,1H3.
What are the key properties of [4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol?
[4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol has a molecular weight of 385.10 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol is sourced from PubChem (CID 61415453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).