5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol

C12H20BrNO2 — CID 103527615

IUPAC5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCc1ccc(Br)o1
InChIInChI=1S/C12H20BrNO2/c1-12(2,6-3-7-15)9-14-8-10-4-5-11(13)16-10/h4-5,14-15H,3,6-9H2,1-2H3
InChIKeyKYABIKJNQSHOPQ-UHFFFAOYSA-N
MW290.20 g/mol
LogP2.93
Rot. Bonds7

About 5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol

5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol (PubChem CID 103527615) has the molecular formula C12H20BrNO2 and a molecular weight of 290.20 g/mol. Its IUPAC name is 5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol
PubChem CID103527615
Molecular FormulaC12H20BrNO2
Molecular Weight290.20 g/mol
Exact Mass289.07
IUPAC Name5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCc1ccc(Br)o1
InChIInChI=1S/C12H20BrNO2/c1-12(2,6-3-7-15)9-14-8-10-4-5-11(13)16-10/h4-5,14-15H,3,6-9H2,1-2H3
InChIKeyKYABIKJNQSHOPQ-UHFFFAOYSA-N
XLogP2.93
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol with MolForge

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Related Compounds

5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-1-ol
CID 103897600
N-[(5-bromofuran-2-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 103527688
5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897822
1-N-[(5-bromofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 28651868
3,3-dimethyl-4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol
CID 103708039
1-[(5-bromofuran-2-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103527551
1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol
CID 66178579
5-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]furan-2-carboxylic acid
CID 106143516
4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567
5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897720
N-[(5-bromofuran-2-yl)methyl]-N'-tert-butylpropane-1,3-diamine
CID 115572727
N-[1-[(5-bromofuran-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63858420

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol (CID 103527615) is 5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNCc1ccc(Br)o1.
What is the InChIKey of 5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is KYABIKJNQSHOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO2/c1-12(2,6-3-7-15)9-14-8-10-4-5-11(13)16-10/h4-5,14-15H,3,6-9H2,1-2H3.
What are the key properties of 5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol?
5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 290.20 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromofuran-2-yl)methylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103527615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).