3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol

C12H18BrNO2 — CID 107094347

IUPAC3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1CCC(O)C1)c1ccc(Br)o1
InChIInChI=1S/C12H18BrNO2/c1-8(11-4-5-12(13)16-11)14-7-9-2-3-10(15)6-9/h4-5,8-10,14-15H,2-3,6-7H2,1H3
InChIKeyZCSJXRKYBSEIKQ-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.85
Rot. Bonds4

About 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol

3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 107094347) has the molecular formula C12H18BrNO2 and a molecular weight of 288.18 g/mol. Its IUPAC name is 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol
PubChem CID107094347
Molecular FormulaC12H18BrNO2
Molecular Weight288.18 g/mol
Exact Mass287.05
IUPAC Name3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1CCC(O)C1)c1ccc(Br)o1
InChIInChI=1S/C12H18BrNO2/c1-8(11-4-5-12(13)16-11)14-7-9-2-3-10(15)6-9/h4-5,8-10,14-15H,2-3,6-7H2,1H3
InChIKeyZCSJXRKYBSEIKQ-UHFFFAOYSA-N
XLogP2.85
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271482
2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 113437563
3-[[1-(3-bromothiophen-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103271388
4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 106125036
1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 113437537
3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103271544
cis-(1S,3R)-3-[[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 97322838
3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271362
N-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine
CID 107094355
3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271297
5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one
CID 104653034
3-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103271556

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol (CID 107094347) is 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol is CC(NCC1CCC(O)C1)c1ccc(Br)o1.
What is the InChIKey of 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is ZCSJXRKYBSEIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-8(11-4-5-12(13)16-11)14-7-9-2-3-10(15)6-9/h4-5,8-10,14-15H,2-3,6-7H2,1H3.
What are the key properties of 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol?
3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 288.18 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 107094347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).