2-(aminomethyl)-1-(3-bromofuran-2-yl)-2-methylbutan-1-ol

C10H16BrNO2 — CID 106889659

IUPAC2-(aminomethyl)-1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
SMILESCCC(C)(CN)C(O)c1occc1Br
InChIInChI=1S/C10H16BrNO2/c1-3-10(2,6-12)9(13)8-7(11)4-5-14-8/h4-5,9,13H,3,6,12H2,1-2H3
InChIKeyFGGYNATWIGWBQU-UHFFFAOYSA-N
MW262.15 g/mol
LogP2.45
Rot. Bonds4

About 2-(aminomethyl)-1-(3-bromofuran-2-yl)-2-methylbutan-1-ol

2-(aminomethyl)-1-(3-bromofuran-2-yl)-2-methylbutan-1-ol (PubChem CID 106889659) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-bromofuran-2-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
PubChem CID106889659
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC Name2-(aminomethyl)-1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
SMILESCCC(C)(CN)C(O)c1occc1Br
InChIInChI=1S/C10H16BrNO2/c1-3-10(2,6-12)9(13)8-7(11)4-5-14-8/h4-5,9,13H,3,6,12H2,1-2H3
InChIKeyFGGYNATWIGWBQU-UHFFFAOYSA-N
XLogP2.45
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-1-(3-bromofuran-2-yl)-2-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-bromofuran-2-yl)-2-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(3-bromofuran-2-yl)-2-methylbutan-1-ol (CID 106889659) is 2-(aminomethyl)-1-(3-bromofuran-2-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(3-bromofuran-2-yl)-2-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(3-bromofuran-2-yl)-2-methylbutan-1-ol is CCC(C)(CN)C(O)c1occc1Br.
What is the InChIKey of 2-(aminomethyl)-1-(3-bromofuran-2-yl)-2-methylbutan-1-ol?
The InChIKey is FGGYNATWIGWBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2/c1-3-10(2,6-12)9(13)8-7(11)4-5-14-8/h4-5,9,13H,3,6,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(3-bromofuran-2-yl)-2-methylbutan-1-ol?
2-(aminomethyl)-1-(3-bromofuran-2-yl)-2-methylbutan-1-ol has a molecular weight of 262.15 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-bromofuran-2-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 106889659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).