[1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol

C12H18BrNOS — CID 115247094

IUPAC[1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol
SMILESOCC1(CNCCc2cc(Br)cs2)CCC1
InChIInChI=1S/C12H18BrNOS/c13-10-6-11(16-7-10)2-5-14-8-12(9-15)3-1-4-12/h6-7,14-15H,1-5,8-9H2
InChIKeyFKTDLSSTYZWGMW-UHFFFAOYSA-N
MW304.25 g/mol
LogP2.81
Rot. Bonds6

About [1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol

[1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol (PubChem CID 115247094) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is [1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol
PubChem CID115247094
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name[1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol
SMILESOCC1(CNCCc2cc(Br)cs2)CCC1
InChIInChI=1S/C12H18BrNOS/c13-10-6-11(16-7-10)2-5-14-8-12(9-15)3-1-4-12/h6-7,14-15H,1-5,8-9H2
InChIKeyFKTDLSSTYZWGMW-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106042522
[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol
CID 115243640
[1-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358901
N'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine
CID 115198009
4-bromo-2-[[1-(bromomethyl)cyclobutyl]methyl]thiophene
CID 66049313
[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol
CID 81411898
[1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclobutyl]methanol
CID 115247111
2-(4-bromothiophen-2-yl)ethylhydrazine
CID 105220814
5-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]thiophene-3-carboxamide
CID 112701033
[1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246905
[1-[[2-(furan-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81412953
1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride
CID 115680308

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol (CID 115247094) is [1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol is OCC1(CNCCc2cc(Br)cs2)CCC1.
What is the InChIKey of [1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol?
The InChIKey is FKTDLSSTYZWGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c13-10-6-11(16-7-10)2-5-14-8-12(9-15)3-1-4-12/h6-7,14-15H,1-5,8-9H2.
What are the key properties of [1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol?
[1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol has a molecular weight of 304.25 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 115247094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).