2-[(1R,2S)-2-[(5-bromofuran-2-yl)methylamino]cyclopentyl]ethanol

C12H18BrNO2 — CID 99834074

IUPAC2-[(1R,2S)-2-[(5-bromofuran-2-yl)methylamino]cyclopentyl]ethanol
SMILESOCC[C@H]1CCC[C@@H]1NCc1ccc(Br)o1
InChIInChI=1S/C12H18BrNO2/c13-12-5-4-10(16-12)8-14-11-3-1-2-9(11)6-7-15/h4-5,9,11,14-15H,1-3,6-8H2/t9-,11+/m1/s1
InChIKeyJNKRBWQQWXERNM-KOLCDFICSA-N
MW288.18 g/mol
LogP2.68
Rot. Bonds5

About 2-[(1R,2S)-2-[(5-bromofuran-2-yl)methylamino]cyclopentyl]ethanol

2-[(1R,2S)-2-[(5-bromofuran-2-yl)methylamino]cyclopentyl]ethanol (PubChem CID 99834074) has the molecular formula C12H18BrNO2 and a molecular weight of 288.18 g/mol. Its IUPAC name is 2-[(1R,2S)-2-[(5-bromofuran-2-yl)methylamino]cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[(1R,2S)-2-[(5-bromofuran-2-yl)methylamino]cyclopentyl]ethanol
PubChem CID99834074
Molecular FormulaC12H18BrNO2
Molecular Weight288.18 g/mol
Exact Mass287.05
IUPAC Name2-[(1R,2S)-2-[(5-bromofuran-2-yl)methylamino]cyclopentyl]ethanol
SMILESOCC[C@H]1CCC[C@@H]1NCc1ccc(Br)o1
InChIInChI=1S/C12H18BrNO2/c13-12-5-4-10(16-12)8-14-11-3-1-2-9(11)6-7-15/h4-5,9,11,14-15H,1-3,6-8H2/t9-,11+/m1/s1
InChIKeyJNKRBWQQWXERNM-KOLCDFICSA-N
XLogP2.68
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1R,2S)-2-[(5-bromofuran-2-yl)methylamino]cyclopentyl]ethanol with MolForge

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Related Compounds

[5-[[(2-ethylcyclopentyl)amino]methyl]furan-2-yl]methanol
CID 115691360
[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclopentyl]methanol
CID 115655020
trans-methyl (1R,2R)-2-[(5-bromofuran-2-yl)methylamino]cyclopentane-1-carboxylate
CID 100615405
[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methanol
CID 115655051
[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol
CID 103699678
[2-[(4,5-dibromofuran-2-yl)methylamino]cyclopentyl]methanol
CID 106359455
N-[(5-bromofuran-2-yl)methyl]-2-ethylcyclopropan-1-amine
CID 103527272
N-[(5-bromofuran-2-yl)methyl]-4-cyclopropyloxolan-3-amine
CID 165457967
N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine
CID 43215825
N-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103527317
N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747402
N-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine
CID 60732893

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-[(5-bromofuran-2-yl)methylamino]cyclopentyl]ethanol?
The IUPAC name of 2-[(1R,2S)-2-[(5-bromofuran-2-yl)methylamino]cyclopentyl]ethanol (CID 99834074) is 2-[(1R,2S)-2-[(5-bromofuran-2-yl)methylamino]cyclopentyl]ethanol.
What is the SMILES notation for 2-[(1R,2S)-2-[(5-bromofuran-2-yl)methylamino]cyclopentyl]ethanol?
The canonical SMILES for 2-[(1R,2S)-2-[(5-bromofuran-2-yl)methylamino]cyclopentyl]ethanol is OCC[C@H]1CCC[C@@H]1NCc1ccc(Br)o1.
What is the InChIKey of 2-[(1R,2S)-2-[(5-bromofuran-2-yl)methylamino]cyclopentyl]ethanol?
The InChIKey is JNKRBWQQWXERNM-KOLCDFICSA-N. The full InChI is InChI=1S/C12H18BrNO2/c13-12-5-4-10(16-12)8-14-11-3-1-2-9(11)6-7-15/h4-5,9,11,14-15H,1-3,6-8H2/t9-,11+/m1/s1.
What are the key properties of 2-[(1R,2S)-2-[(5-bromofuran-2-yl)methylamino]cyclopentyl]ethanol?
2-[(1R,2S)-2-[(5-bromofuran-2-yl)methylamino]cyclopentyl]ethanol has a molecular weight of 288.18 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-[(5-bromofuran-2-yl)methylamino]cyclopentyl]ethanol is sourced from PubChem (CID 99834074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).