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

C12H20BrNO2 — CID 66178579

IUPAC1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNCc1ccc(Br)o1
InChIInChI=1S/C12H20BrNO2/c1-9(2)6-12(3,15)8-14-7-10-4-5-11(13)16-10/h4-5,9,14-15H,6-8H2,1-3H3
InChIKeyJCOXTISIFUJBRU-UHFFFAOYSA-N
MW290.20 g/mol
LogP2.93
Rot. Bonds6

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

1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol (PubChem CID 66178579) has the molecular formula C12H20BrNO2 and a molecular weight of 290.20 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol
PubChem CID66178579
Molecular FormulaC12H20BrNO2
Molecular Weight290.20 g/mol
Exact Mass289.07
IUPAC Name1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNCc1ccc(Br)o1
InChIInChI=1S/C12H20BrNO2/c1-9(2)6-12(3,15)8-14-7-10-4-5-11(13)16-10/h4-5,9,14-15H,6-8H2,1-3H3
InChIKeyJCOXTISIFUJBRU-UHFFFAOYSA-N
XLogP2.93
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol (CID 66178579) is 1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNCc1ccc(Br)o1.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol?
The InChIKey is JCOXTISIFUJBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO2/c1-9(2)6-12(3,15)8-14-7-10-4-5-11(13)16-10/h4-5,9,14-15H,6-8H2,1-3H3.
What are the key properties of 1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol?
1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol has a molecular weight of 290.20 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66178579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).