(3-bromofuran-2-yl)-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine

C10H12BrNO2 — CID 164659597

IUPAC(3-bromofuran-2-yl)-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine
SMILESNC(c1occc1Br)C12COCC1C2
InChIInChI=1S/C10H12BrNO2/c11-7-1-2-14-8(7)9(12)10-3-6(10)4-13-5-10/h1-2,6,9H,3-5,12H2
InChIKeyJMHNAVZAQHJOQE-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.08
Rot. Bonds2

About (3-bromofuran-2-yl)-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine

(3-bromofuran-2-yl)-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine (PubChem CID 164659597) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine
PubChem CID164659597
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name(3-bromofuran-2-yl)-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine
SMILESNC(c1occc1Br)C12COCC1C2
InChIInChI=1S/C10H12BrNO2/c11-7-1-2-14-8(7)9(12)10-3-6(10)4-13-5-10/h1-2,6,9H,3-5,12H2
InChIKeyJMHNAVZAQHJOQE-UHFFFAOYSA-N
XLogP2.08
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine
CID 115861247
1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066055
(3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine
CID 115861563
(3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine
CID 63942648
1-(3-bromofuran-2-yl)-2-cycloheptylethanamine
CID 115861686
(3-bromofuran-2-yl)-(oxolan-2-yl)methanamine
CID 65330811
1-(3-bromofuran-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053885
3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol
CID 106889652
(3-bromofuran-2-yl)-(thiolan-2-yl)methanamine
CID 80621764
1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
CID 63943593
1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine
CID 63942655
(3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methanamine
CID 65402562

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine?
The IUPAC name of (3-bromofuran-2-yl)-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine (CID 164659597) is (3-bromofuran-2-yl)-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine.
What is the SMILES notation for (3-bromofuran-2-yl)-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine?
The canonical SMILES for (3-bromofuran-2-yl)-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine is NC(c1occc1Br)C12COCC1C2.
What is the InChIKey of (3-bromofuran-2-yl)-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine?
The InChIKey is JMHNAVZAQHJOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-7-1-2-14-8(7)9(12)10-3-6(10)4-13-5-10/h1-2,6,9H,3-5,12H2.
What are the key properties of (3-bromofuran-2-yl)-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine?
(3-bromofuran-2-yl)-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine has a molecular weight of 258.11 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine is sourced from PubChem (CID 164659597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).