1-[4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]ethanol

C14H15Br2NOS — CID 82969604

IUPAC1-[4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1N(C)Cc1cc(Br)cs1
InChIInChI=1S/C14H15Br2NOS/c1-9(18)13-4-3-10(15)6-14(13)17(2)7-12-5-11(16)8-19-12/h3-6,8-9,18H,7H2,1-2H3
InChIKeyLYIXPXZTFQCIPT-UHFFFAOYSA-N
MW405.16 g/mol
LogP4.96
Rot. Bonds4

About 1-[4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]ethanol

1-[4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]ethanol (PubChem CID 82969604) has the molecular formula C14H15Br2NOS and a molecular weight of 405.16 g/mol. Its IUPAC name is 1-[4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]ethanol
PubChem CID82969604
Molecular FormulaC14H15Br2NOS
Molecular Weight405.16 g/mol
Exact Mass402.92
IUPAC Name1-[4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1N(C)Cc1cc(Br)cs1
InChIInChI=1S/C14H15Br2NOS/c1-9(18)13-4-3-10(15)6-14(13)17(2)7-12-5-11(16)8-19-12/h3-6,8-9,18H,7H2,1-2H3
InChIKeyLYIXPXZTFQCIPT-UHFFFAOYSA-N
XLogP4.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.16
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]benzenecarbothioamide
CID 114891555
4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]benzenecarboximidamide
CID 114904502
1-[4-bromo-2-[methyl(4-methylpentan-2-yl)amino]phenyl]ethanol
CID 82971146
1-[4-bromo-2-[3-methoxypropyl(methyl)amino]phenyl]ethanol
CID 82971014
1-[4-bromo-2-[methyl(2-methylsulfonylethyl)amino]phenyl]ethanol
CID 82971235
4-(1-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-2-fluoro-N-methylaniline
CID 54984893
methyl 2-[(4-bromothiophen-2-yl)methyl-methylamino]benzoate
CID 62026548
(1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78939689
5-bromo-N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
CID 63552450
2-bromo-6-[(4-bromothiophen-2-yl)methyl-methylamino]benzenecarbothioamide
CID 114882184
4-amino-3-[(4-bromothiophen-2-yl)methyl-methylamino]benzamide
CID 63356603
2-(2-aminobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylaniline
CID 63816850

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]ethanol (CID 82969604) is 1-[4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]ethanol is CC(O)c1ccc(Br)cc1N(C)Cc1cc(Br)cs1.
What is the InChIKey of 1-[4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]ethanol?
The InChIKey is LYIXPXZTFQCIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NOS/c1-9(18)13-4-3-10(15)6-14(13)17(2)7-12-5-11(16)8-19-12/h3-6,8-9,18H,7H2,1-2H3.
What are the key properties of 1-[4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]ethanol?
1-[4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]ethanol has a molecular weight of 405.16 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]ethanol is sourced from PubChem (CID 82969604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).