1-(2-chlorofuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine

C13H14ClNO2 — CID 106691466

IUPAC1-(2-chlorofuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1OC)c1ccoc1Cl
InChIInChI=1S/C13H14ClNO2/c1-15-12(10-7-8-17-13(10)14)9-5-3-4-6-11(9)16-2/h3-8,12,15H,1-2H3
InChIKeyXHTBOIOZRJIFRX-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.25
Rot. Bonds4

About 1-(2-chlorofuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine

1-(2-chlorofuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine (PubChem CID 106691466) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
PubChem CID106691466
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name1-(2-chlorofuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1OC)c1ccoc1Cl
InChIInChI=1S/C13H14ClNO2/c1-15-12(10-7-8-17-13(10)14)9-5-3-4-6-11(9)16-2/h3-8,12,15H,1-2H3
InChIKeyXHTBOIOZRJIFRX-UHFFFAOYSA-N
XLogP3.25
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylfuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 114104162
1-(3-chloro-4-pyridinyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 105093667
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104545900
1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine
CID 106693400
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106684333
1-(2-methoxyphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 60819715
1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62963769
N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 106684605
1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 106684145
1-(2-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789858
1-(2-fluoro-5-methylphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 62790144

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine (CID 106691466) is 1-(2-chlorofuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine is CNC(c1ccccc1OC)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine?
The InChIKey is XHTBOIOZRJIFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-15-12(10-7-8-17-13(10)14)9-5-3-4-6-11(9)16-2/h3-8,12,15H,1-2H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine?
1-(2-chlorofuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine has a molecular weight of 251.71 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 106691466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).