4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol

C15H18BrNOS — CID 43746698

IUPAC4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCc1ccc(Br)s1
InChIInChI=1S/C15H18BrNOS/c1-11(17-10-14-8-9-15(16)19-14)2-3-12-4-6-13(18)7-5-12/h4-9,11,17-18H,2-3,10H2,1H3
InChIKeyFDIGDLRECREZEK-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.33
Rot. Bonds6

About 4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol

4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol (PubChem CID 43746698) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol
PubChem CID43746698
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCc1ccc(Br)s1
InChIInChI=1S/C15H18BrNOS/c1-11(17-10-14-8-9-15(16)19-14)2-3-12-4-6-13(18)7-5-12/h4-9,11,17-18H,2-3,10H2,1H3
InChIKeyFDIGDLRECREZEK-UHFFFAOYSA-N
XLogP4.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(Thiophen-2-ylmethylamino)methyl]phenol
CID 677150
4-Hydroxy-3-[1-(2-thiophen-2-ylethylamino)ethyl]benzonitrile
CID 44326349
4-{[(2-Thienylmethyl)amino]methyl}benzenol hydrachloride
CID 16413966
(4-Hydroxyphenyl)methyl-(thiophen-2-ylmethyl)azanium
CID 6920303
N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225819
N-[(5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 43493739
N-[(5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43498263
N-[(5-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 43561509
N-[(5-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561582
N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 54900692
5-Fluoro-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol
CID 55146110
5-Fluoro-2-[1-(thiophen-3-ylmethylamino)ethyl]phenol
CID 55175067

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol?
The IUPAC name of 4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol (CID 43746698) is 4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol?
The canonical SMILES for 4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol is CC(CCc1ccc(O)cc1)NCc1ccc(Br)s1.
What is the InChIKey of 4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol?
The InChIKey is FDIGDLRECREZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-11(17-10-14-8-9-15(16)19-14)2-3-12-4-6-13(18)7-5-12/h4-9,11,17-18H,2-3,10H2,1H3.
What are the key properties of 4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol?
4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol has a molecular weight of 340.29 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol is sourced from PubChem (CID 43746698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).