3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol

C8H12BrNO2 — CID 106889652

IUPAC3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1occc1Br
InChIInChI=1S/C8H12BrNO2/c1-5(4-10)7(11)8-6(9)2-3-12-8/h2-3,5,7,11H,4,10H2,1H3
InChIKeyPDNTVNKCXKFYAN-UHFFFAOYSA-N
MW234.09 g/mol
LogP1.67
Rot. Bonds3

About 3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol

3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol (PubChem CID 106889652) has the molecular formula C8H12BrNO2 and a molecular weight of 234.09 g/mol. Its IUPAC name is 3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol
PubChem CID106889652
Molecular FormulaC8H12BrNO2
Molecular Weight234.09 g/mol
Exact Mass233.01
IUPAC Name3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1occc1Br
InChIInChI=1S/C8H12BrNO2/c1-5(4-10)7(11)8-6(9)2-3-12-8/h2-3,5,7,11H,4,10H2,1H3
InChIKeyPDNTVNKCXKFYAN-UHFFFAOYSA-N
XLogP1.67
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
CID 63943593
1-(3-bromofuran-2-yl)pentane-1,2-diol
CID 103454948
3-(3-bromofuran-2-yl)-3-hydroxy-2-methylpropanenitrile
CID 106889617
1-(3-bromofuran-2-yl)-N-propan-2-ylethane-1,2-diamine
CID 106885701
3-(3-bromofuran-2-yl)-2,3-dihydroxypropanamide
CID 171869605
1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 106885776
3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol
CID 60733986
2-(aminomethyl)-1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
CID 106889659
ethyl 2-(3-bromofuran-2-yl)propanoate
CID 101398465
[1-(aminomethyl)cyclopropyl]-(3-bromofuran-2-yl)methanol
CID 130513437
3-amino-1-(2,4-dibromophenyl)-2-methylpropan-1-ol
CID 107955003
1-(3-bromofuran-2-yl)-2-ethylbutane-1,2-diol
CID 103449389

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol?
The IUPAC name of 3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol (CID 106889652) is 3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol?
The canonical SMILES for 3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol is CC(CN)C(O)c1occc1Br.
What is the InChIKey of 3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol?
The InChIKey is PDNTVNKCXKFYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO2/c1-5(4-10)7(11)8-6(9)2-3-12-8/h2-3,5,7,11H,4,10H2,1H3.
What are the key properties of 3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol?
3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol has a molecular weight of 234.09 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 106889652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).