1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine

C13H14BrNO2 — CID 106485972

IUPAC1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCc2ccc(Br)o2)c1
InChIInChI=1S/C13H14BrNO2/c1-15-8-10-3-2-4-11(7-10)16-9-12-5-6-13(14)17-12/h2-7,15H,8-9H2,1H3
InChIKeyGPBOUSQKZSQPSB-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.34
Rot. Bonds5

About 1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine

1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 106485972) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID106485972
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCc2ccc(Br)o2)c1
InChIInChI=1S/C13H14BrNO2/c1-15-8-10-3-2-4-11(7-10)16-9-12-5-6-13(14)17-12/h2-7,15H,8-9H2,1H3
InChIKeyGPBOUSQKZSQPSB-UHFFFAOYSA-N
XLogP3.34
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-[(5-methylfuran-2-yl)methoxy]phenyl]methanamine
CID 106486033
1-[5-[(3-ethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62452138
1-[5-[[3-(methoxymethyl)phenoxy]methyl]furan-2-yl]-N-methylmethanamine
CID 63986399
1-[5-[(3-bromophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62459188
1-[3-(furan-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 67855263
N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]methanamine
CID 19744687
1-[3-(furan-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 106486019
1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 113454072
1-[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880914
1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 106262951
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996
1-[5-[(3-ethylphenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 62451776

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine (CID 106485972) is 1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1cccc(OCc2ccc(Br)o2)c1.
What is the InChIKey of 1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is GPBOUSQKZSQPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c1-15-8-10-3-2-4-11(7-10)16-9-12-5-6-13(14)17-12/h2-7,15H,8-9H2,1H3.
What are the key properties of 1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine?
1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 296.16 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 106485972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).