[5-[[(4-bromothiophen-2-yl)methylamino]methyl]furan-2-yl]methanol

C11H12BrNO2S — CID 64591802

IUPAC[5-[[(4-bromothiophen-2-yl)methylamino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNCc2cc(Br)cs2)o1
InChIInChI=1S/C11H12BrNO2S/c12-8-3-11(16-7-8)5-13-4-9-1-2-10(6-14)15-9/h1-3,7,13-14H,4-6H2
InChIKeyKNGYYYIEAQXYII-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.89
Rot. Bonds5

About [5-[[(4-bromothiophen-2-yl)methylamino]methyl]furan-2-yl]methanol

[5-[[(4-bromothiophen-2-yl)methylamino]methyl]furan-2-yl]methanol (PubChem CID 64591802) has the molecular formula C11H12BrNO2S and a molecular weight of 302.19 g/mol. Its IUPAC name is [5-[[(4-bromothiophen-2-yl)methylamino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[(4-bromothiophen-2-yl)methylamino]methyl]furan-2-yl]methanol
PubChem CID64591802
Molecular FormulaC11H12BrNO2S
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name[5-[[(4-bromothiophen-2-yl)methylamino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNCc2cc(Br)cs2)o1
InChIInChI=1S/C11H12BrNO2S/c12-8-3-11(16-7-8)5-13-4-9-1-2-10(6-14)15-9/h1-3,7,13-14H,4-6H2
InChIKeyKNGYYYIEAQXYII-UHFFFAOYSA-N
XLogP2.89
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromofuran-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 115732892
N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine
CID 4792507
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 28833082
1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81327681
N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine
CID 28833347
4-[[(4-bromothiophen-2-yl)methylamino]methyl]benzene-1,3-diol
CID 63378742
2-bromo-4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenol
CID 60957070
4-[[(4-bromothiophen-2-yl)methylamino]methyl]-2-fluorobenzoic acid
CID 106700156
1-[(4-bromothiophen-2-yl)methylamino]propan-2-ol
CID 43392242
N-[(4-bromothiophen-2-yl)methyl]-1-(3,5-difluorophenyl)methanamine
CID 115579770
[5-[(2,4-dibromoanilino)methyl]furan-2-yl]methanol
CID 64579776
(4-bromothiophen-2-yl)methanol;ethane
CID 163225247

Frequently Asked Questions

What is the IUPAC name of [5-[[(4-bromothiophen-2-yl)methylamino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[(4-bromothiophen-2-yl)methylamino]methyl]furan-2-yl]methanol (CID 64591802) is [5-[[(4-bromothiophen-2-yl)methylamino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[(4-bromothiophen-2-yl)methylamino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[(4-bromothiophen-2-yl)methylamino]methyl]furan-2-yl]methanol is OCc1ccc(CNCc2cc(Br)cs2)o1.
What is the InChIKey of [5-[[(4-bromothiophen-2-yl)methylamino]methyl]furan-2-yl]methanol?
The InChIKey is KNGYYYIEAQXYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2S/c12-8-3-11(16-7-8)5-13-4-9-1-2-10(6-14)15-9/h1-3,7,13-14H,4-6H2.
What are the key properties of [5-[[(4-bromothiophen-2-yl)methylamino]methyl]furan-2-yl]methanol?
[5-[[(4-bromothiophen-2-yl)methylamino]methyl]furan-2-yl]methanol has a molecular weight of 302.19 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(4-bromothiophen-2-yl)methylamino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 64591802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).