[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]methanol

C13H14BrNOS — CID 54982683

IUPAC[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]methanol
SMILESCN(Cc1csc(Br)c1)c1ccccc1CO
InChIInChI=1S/C13H14BrNOS/c1-15(7-10-6-13(14)17-9-10)12-5-3-2-4-11(12)8-16/h2-6,9,16H,7-8H2,1H3
InChIKeyHNASVMHXSJPBQZ-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.64
Rot. Bonds4

About [2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]methanol

[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]methanol (PubChem CID 54982683) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is [2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]methanol
PubChem CID54982683
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]methanol
SMILESCN(Cc1csc(Br)c1)c1ccccc1CO
InChIInChI=1S/C13H14BrNOS/c1-15(7-10-6-13(14)17-9-10)12-5-3-2-4-11(12)8-16/h2-6,9,16H,7-8H2,1H3
InChIKeyHNASVMHXSJPBQZ-UHFFFAOYSA-N
XLogP3.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-2-(chloromethyl)-N-methylaniline
CID 63541636
[2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol
CID 61415401
(1R)-1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]propan-1-ol
CID 103959914
1-[3-bromo-4-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]ethanol
CID 55130341
2-bromo-6-[(5-bromothiophen-3-yl)methyl-methylamino]benzenecarbothioamide
CID 114882178
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[1-(methylamino)propyl]aniline
CID 115995013
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-(chloromethyl)-N-methylaniline
CID 63540822
(1R)-1-[4-[(5-bromothiophen-3-yl)methyl-methylamino]-3-chlorophenyl]ethanol
CID 63371224
[6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol
CID 54986955
2-[(5-bromothiophen-3-yl)methyl-methylamino]-6-chlorobenzaldehyde
CID 63535975
1-N-[(5-bromothiophen-3-yl)methyl]-1-N-methyl-3-methylsulfonylbenzene-1,2-diamine
CID 82002956
2-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline
CID 63083687

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]methanol?
The IUPAC name of [2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]methanol (CID 54982683) is [2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]methanol.
What is the SMILES notation for [2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]methanol?
The canonical SMILES for [2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]methanol is CN(Cc1csc(Br)c1)c1ccccc1CO.
What is the InChIKey of [2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]methanol?
The InChIKey is HNASVMHXSJPBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c1-15(7-10-6-13(14)17-9-10)12-5-3-2-4-11(12)8-16/h2-6,9,16H,7-8H2,1H3.
What are the key properties of [2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]methanol?
[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]methanol has a molecular weight of 312.23 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]methanol is sourced from PubChem (CID 54982683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).