N-[(3-bromofuran-2-yl)methyl]-1,1-dimethoxypropan-2-amine

C10H16BrNO3 — CID 106885364

IUPACN-[(3-bromofuran-2-yl)methyl]-1,1-dimethoxypropan-2-amine
SMILESCOC(OC)C(C)NCc1occc1Br
InChIInChI=1S/C10H16BrNO3/c1-7(10(13-2)14-3)12-6-9-8(11)4-5-15-9/h4-5,7,10,12H,6H2,1-3H3
InChIKeyRJWSUZWIJBQIQZ-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.14
Rot. Bonds6

About N-[(3-bromofuran-2-yl)methyl]-1,1-dimethoxypropan-2-amine

N-[(3-bromofuran-2-yl)methyl]-1,1-dimethoxypropan-2-amine (PubChem CID 106885364) has the molecular formula C10H16BrNO3 and a molecular weight of 278.15 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)methyl]-1,1-dimethoxypropan-2-amine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)methyl]-1,1-dimethoxypropan-2-amine
PubChem CID106885364
Molecular FormulaC10H16BrNO3
Molecular Weight278.15 g/mol
Exact Mass277.03
IUPAC NameN-[(3-bromofuran-2-yl)methyl]-1,1-dimethoxypropan-2-amine
SMILESCOC(OC)C(C)NCc1occc1Br
InChIInChI=1S/C10H16BrNO3/c1-7(10(13-2)14-3)12-6-9-8(11)4-5-15-9/h4-5,7,10,12H,6H2,1-3H3
InChIKeyRJWSUZWIJBQIQZ-UHFFFAOYSA-N
XLogP2.14
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)methyl]-1,1-dimethoxypropan-2-amine?
The IUPAC name of N-[(3-bromofuran-2-yl)methyl]-1,1-dimethoxypropan-2-amine (CID 106885364) is N-[(3-bromofuran-2-yl)methyl]-1,1-dimethoxypropan-2-amine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)methyl]-1,1-dimethoxypropan-2-amine?
The canonical SMILES for N-[(3-bromofuran-2-yl)methyl]-1,1-dimethoxypropan-2-amine is COC(OC)C(C)NCc1occc1Br.
What is the InChIKey of N-[(3-bromofuran-2-yl)methyl]-1,1-dimethoxypropan-2-amine?
The InChIKey is RJWSUZWIJBQIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO3/c1-7(10(13-2)14-3)12-6-9-8(11)4-5-15-9/h4-5,7,10,12H,6H2,1-3H3.
What are the key properties of N-[(3-bromofuran-2-yl)methyl]-1,1-dimethoxypropan-2-amine?
N-[(3-bromofuran-2-yl)methyl]-1,1-dimethoxypropan-2-amine has a molecular weight of 278.15 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)methyl]-1,1-dimethoxypropan-2-amine is sourced from PubChem (CID 106885364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).