4-[[(3-bromofuran-2-yl)methylamino]methyl]cyclohexan-1-ol

C12H18BrNO2 — CID 106126995

IUPAC4-[[(3-bromofuran-2-yl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCc2occc2Br)CC1
InChIInChI=1S/C12H18BrNO2/c13-11-5-6-16-12(11)8-14-7-9-1-3-10(15)4-2-9/h5-6,9-10,14-15H,1-4,7-8H2
InChIKeyNUWNBPSNUCKXCW-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.68
Rot. Bonds4

About 4-[[(3-bromofuran-2-yl)methylamino]methyl]cyclohexan-1-ol

4-[[(3-bromofuran-2-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 106126995) has the molecular formula C12H18BrNO2 and a molecular weight of 288.18 g/mol. Its IUPAC name is 4-[[(3-bromofuran-2-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(3-bromofuran-2-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID106126995
Molecular FormulaC12H18BrNO2
Molecular Weight288.18 g/mol
Exact Mass287.05
IUPAC Name4-[[(3-bromofuran-2-yl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCc2occc2Br)CC1
InChIInChI=1S/C12H18BrNO2/c13-11-5-6-16-12(11)8-14-7-9-1-3-10(15)4-2-9/h5-6,9-10,14-15H,1-4,7-8H2
InChIKeyNUWNBPSNUCKXCW-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Furfuryl-1-cyclohexanecarboxamide
CID 240161
4-({[(Furan-2-yl)methyl]amino}methyl)phenol
CID 4279464
Furan-2-ylmethyl-(4-methyl-cyclohexyl)-amine
CID 758102
1-(Furan-2-ylmethylamino)-3-phenylmethoxypropan-2-ol
CID 44427653
2-({[5-(4-Bromophenyl)furan-2-yl]methyl}amino)butan-1-ol
CID 4723757
[(3S,4S)-4-[1-(furan-2-ylmethyl)piperidin-4-yl]pyrrolidin-3-yl]methanol
CID 91910137
2-[(Furan-2-ylmethyl)-amino]-1-phenyl-ethanol
CID 2809737
N-(2-cyclohexyl-2-hydroxyethyl)furan-2-carboxamide
CID 56764279
1-[[[(1S)-1-(furan-2-yl)-2-methoxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 97824442
2-[2-[(5-Bromofuran-2-yl)methylamino]cyclopentyl]ethanol
CID 121517805
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)methanamine
CID 2939003
(1-Allyl-cyclohexyl)-furan-2-ylmethyl-amine
CID 601150

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-bromofuran-2-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(3-bromofuran-2-yl)methylamino]methyl]cyclohexan-1-ol (CID 106126995) is 4-[[(3-bromofuran-2-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(3-bromofuran-2-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(3-bromofuran-2-yl)methylamino]methyl]cyclohexan-1-ol is OC1CCC(CNCc2occc2Br)CC1.
What is the InChIKey of 4-[[(3-bromofuran-2-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is NUWNBPSNUCKXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c13-11-5-6-16-12(11)8-14-7-9-1-3-10(15)4-2-9/h5-6,9-10,14-15H,1-4,7-8H2.
What are the key properties of 4-[[(3-bromofuran-2-yl)methylamino]methyl]cyclohexan-1-ol?
4-[[(3-bromofuran-2-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 288.18 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-bromofuran-2-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106126995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).