[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol

C11H16BrNOS — CID 115243640

IUPAC[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCCc2ccc(Br)s2)CC1
InChIInChI=1S/C11H16BrNOS/c12-10-2-1-9(15-10)3-6-13-7-11(8-14)4-5-11/h1-2,13-14H,3-8H2
InChIKeyXTQKGTIRFIMSPO-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.42
Rot. Bonds6

About [1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol

[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol (PubChem CID 115243640) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is [1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol
PubChem CID115243640
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCCc2ccc(Br)s2)CC1
InChIInChI=1S/C11H16BrNOS/c12-10-2-1-9(15-10)3-6-13-7-11(8-14)4-5-11/h1-2,13-14H,3-8H2
InChIKeyXTQKGTIRFIMSPO-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.42
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
3-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]oxetane-3-carboxylic acid
CID 115248512
N-[[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66023790
[1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol
CID 115247094
4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 115701308
[1-[[(5-bromothiophen-2-yl)amino]methyl]cyclobutyl]methanol
CID 115246696
2-[1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071211
(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol
CID 96666636
[1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243621
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-chlorothiophen-2-yl)ethanamine
CID 115244292
N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine
CID 106042832
N-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine
CID 106046795

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol (CID 115243640) is [1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol is OCC1(CNCCc2ccc(Br)s2)CC1.
What is the InChIKey of [1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol?
The InChIKey is XTQKGTIRFIMSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c12-10-2-1-9(15-10)3-6-13-7-11(8-14)4-5-11/h1-2,13-14H,3-8H2.
What are the key properties of [1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol?
[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol has a molecular weight of 290.23 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).