[5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine

C12H12BrNO2 — CID 62459720

IUPAC[5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine
SMILESNCc1ccc(COc2cccc(Br)c2)o1
InChIInChI=1S/C12H12BrNO2/c13-9-2-1-3-10(6-9)15-8-12-5-4-11(7-14)16-12/h1-6H,7-8,14H2
InChIKeyVBUXJJJMWPTFJH-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.08
Rot. Bonds4

About [5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine

[5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine (PubChem CID 62459720) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is [5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine
PubChem CID62459720
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name[5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine
SMILESNCc1ccc(COc2cccc(Br)c2)o1
InChIInChI=1S/C12H12BrNO2/c13-9-2-1-3-10(6-9)15-8-12-5-4-11(7-14)16-12/h1-6H,7-8,14H2
InChIKeyVBUXJJJMWPTFJH-UHFFFAOYSA-N
XLogP3.08
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(3-bromophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62459188
[5-[(4-bromo-3-methylphenoxy)methyl]furan-2-yl]methanamine
CID 83135141
5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine
CID 117216893
[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine
CID 62485761
2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol
CID 117182804
N-(2-amino-1-cyclopropylethyl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119616986
N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide
CID 119575372
5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63576178
[2-(aminomethyl)pyrrolidin-1-yl]-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone;hydrochloride
CID 119634045
[2-(aminomethyl)piperidin-1-yl]-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone;hydrochloride
CID 119469178
3-[5-[(6-bromonaphthalen-2-yl)oxymethyl]furan-2-yl]propan-1-amine
CID 170878748
[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
CID 115402732

Frequently Asked Questions

What is the IUPAC name of [5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine?
The IUPAC name of [5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine (CID 62459720) is [5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine is NCc1ccc(COc2cccc(Br)c2)o1.
What is the InChIKey of [5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine?
The InChIKey is VBUXJJJMWPTFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c13-9-2-1-3-10(6-9)15-8-12-5-4-11(7-14)16-12/h1-6H,7-8,14H2.
What are the key properties of [5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine?
[5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine has a molecular weight of 282.14 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62459720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).