(4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine

C12H12BrNO2 — CID 115368966

IUPAC(4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine
SMILESCOc1cc(Br)ccc1C(N)c1ccco1
InChIInChI=1S/C12H12BrNO2/c1-15-11-7-8(13)4-5-9(11)12(14)10-3-2-6-16-10/h2-7,12H,14H2,1H3
InChIKeyXIKYVTAWTCBDIJ-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.10
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine

(4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine (PubChem CID 115368966) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine
PubChem CID115368966
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name(4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine
SMILESCOc1cc(Br)ccc1C(N)c1ccco1
InChIInChI=1S/C12H12BrNO2/c1-15-11-7-8(13)4-5-9(11)12(14)10-3-2-6-16-10/h2-7,12H,14H2,1H3
InChIKeyXIKYVTAWTCBDIJ-UHFFFAOYSA-N
XLogP3.10
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

furan-2-yl-(3-methoxy-4-pyridinyl)methanamine
CID 105065582
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 115850574
(2-bromo-5-methylphenyl)-(furan-2-yl)methanamine
CID 81109749
(4-bromo-2-methoxyphenyl)-(5-bromothiophen-2-yl)methanamine
CID 113296012
(1S)-1-(4-bromo-2-methoxyphenyl)-2-fluoroethanamine
CID 131036792
1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705506
(4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 113296008
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
(1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol
CID 130727947
2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol
CID 82623849
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457
(4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 115369006

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine (CID 115368966) is (4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine is COc1cc(Br)ccc1C(N)c1ccco1.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine?
The InChIKey is XIKYVTAWTCBDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-15-11-7-8(13)4-5-9(11)12(14)10-3-2-6-16-10/h2-7,12H,14H2,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine?
(4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine has a molecular weight of 282.14 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine is sourced from PubChem (CID 115368966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).