1-(5-chlorofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine

C13H14ClNO2 — CID 106691445

IUPAC1-(5-chlorofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC)c1)c1ccc(Cl)o1
InChIInChI=1S/C13H14ClNO2/c1-15-13(11-6-7-12(14)17-11)9-4-3-5-10(8-9)16-2/h3-8,13,15H,1-2H3
InChIKeyFUKRVWKWHHLJDE-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.25
Rot. Bonds4

About 1-(5-chlorofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine

1-(5-chlorofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine (PubChem CID 106691445) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
PubChem CID106691445
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name1-(5-chlorofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC)c1)c1ccc(Cl)o1
InChIInChI=1S/C13H14ClNO2/c1-15-13(11-6-7-12(14)17-11)9-4-3-5-10(8-9)16-2/h3-8,13,15H,1-2H3
InChIKeyFUKRVWKWHHLJDE-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-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106691917
1-(5-chlorofuran-2-yl)-N-methyl-1-pyridin-3-ylmethanamine
CID 106691503
1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 105394635
1-(4-chloro-3-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 107991860
N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 106692823
N-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 54863574
1-(4-fluoro-3,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 65299487
1-(5-ethylfuran-2-yl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62920362
1-(2-methoxy-4,6-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 106680353
1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 114727492
1-(5-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 54967829
1-(3-bromofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 63943412

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine (CID 106691445) is 1-(5-chlorofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine is CNC(c1cccc(OC)c1)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is FUKRVWKWHHLJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-15-13(11-6-7-12(14)17-11)9-4-3-5-10(8-9)16-2/h3-8,13,15H,1-2H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine?
1-(5-chlorofuran-2-yl)-1-(3-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-(5-chlorofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 106691445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).