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

C15H18BrNOS — CID 43746723

IUPAC4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCc1csc(Br)c1
InChIInChI=1S/C15H18BrNOS/c1-11(17-9-13-8-15(16)19-10-13)2-3-12-4-6-14(18)7-5-12/h4-8,10-11,17-18H,2-3,9H2,1H3
InChIKeyJBRRCCAATLCBDZ-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.33
Rot. Bonds6

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

4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol (PubChem CID 43746723) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol
PubChem CID43746723
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCc1csc(Br)c1
InChIInChI=1S/C15H18BrNOS/c1-11(17-9-13-8-15(16)19-10-13)2-3-12-4-6-14(18)7-5-12/h4-8,10-11,17-18H,2-3,9H2,1H3
InChIKeyJBRRCCAATLCBDZ-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-[2-[(5-bromothiophen-3-yl)methylamino]ethyl]phenol
CID 61238208
4-[3-(thiophen-3-ylmethylamino)butyl]phenol
CID 43746689
4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol
CID 43746698
N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43431981
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
N-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115639975
N-[(5-bromothiophen-3-yl)methyl]propan-2-amine
CID 43431930
N-[(5-bromothiophen-3-yl)methyl]-1-phenylpropan-2-amine
CID 63010723
4-[3-[(3-aminothiophen-2-yl)methylamino]butyl]phenol
CID 66387165
4-[3-[(1-methylpyrrol-3-yl)methylamino]butyl]phenol
CID 66397478
4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide
CID 119122196
(2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide
CID 103735729

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol?
The IUPAC name of 4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol (CID 43746723) is 4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol?
The canonical SMILES for 4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol is CC(CCc1ccc(O)cc1)NCc1csc(Br)c1.
What is the InChIKey of 4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol?
The InChIKey is JBRRCCAATLCBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-11(17-9-13-8-15(16)19-10-13)2-3-12-4-6-14(18)7-5-12/h4-8,10-11,17-18H,2-3,9H2,1H3.
What are the key properties of 4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol?
4-[3-[(5-bromothiophen-3-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-3-yl)methylamino]butyl]phenol is sourced from PubChem (CID 43746723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).