1-[5-(3-chloro-2-fluorophenyl)furan-2-yl]-N-methylmethanamine

C12H11ClFNO — CID 43624907

IUPAC1-[5-(3-chloro-2-fluorophenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cccc(Cl)c2F)o1
InChIInChI=1S/C12H11ClFNO/c1-15-7-8-5-6-11(16-8)9-3-2-4-10(13)12(9)14/h2-6,15H,7H2,1H3
InChIKeyGXJYKNSPNBYMEK-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.46
Rot. Bonds3

About 1-[5-(3-chloro-2-fluorophenyl)furan-2-yl]-N-methylmethanamine

1-[5-(3-chloro-2-fluorophenyl)furan-2-yl]-N-methylmethanamine (PubChem CID 43624907) has the molecular formula C12H11ClFNO and a molecular weight of 239.68 g/mol. Its IUPAC name is 1-[5-(3-chloro-2-fluorophenyl)furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3-chloro-2-fluorophenyl)furan-2-yl]-N-methylmethanamine
PubChem CID43624907
Molecular FormulaC12H11ClFNO
Molecular Weight239.68 g/mol
Exact Mass239.05
IUPAC Name1-[5-(3-chloro-2-fluorophenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cccc(Cl)c2F)o1
InChIInChI=1S/C12H11ClFNO/c1-15-7-8-5-6-11(16-8)9-3-2-4-10(13)12(9)14/h2-6,15H,7H2,1H3
InChIKeyGXJYKNSPNBYMEK-UHFFFAOYSA-N
XLogP3.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride
CID 6473590
1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 43624782
N'-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine
CID 4724375
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 6471479
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 4725309
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine
CID 4724269
N-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106887913
1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 55181893
2-methyl-4-[2-[5-(methylaminomethyl)furan-2-yl]phenyl]-3H-isoindol-1-one
CID 169002894
1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63085456
1-[5-(2,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine
CID 43624822
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-3-methylbutan-1-amine;hydrochloride
CID 17210608

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-2-fluorophenyl)furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3-chloro-2-fluorophenyl)furan-2-yl]-N-methylmethanamine (CID 43624907) is 1-[5-(3-chloro-2-fluorophenyl)furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3-chloro-2-fluorophenyl)furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3-chloro-2-fluorophenyl)furan-2-yl]-N-methylmethanamine is CNCc1ccc(-c2cccc(Cl)c2F)o1.
What is the InChIKey of 1-[5-(3-chloro-2-fluorophenyl)furan-2-yl]-N-methylmethanamine?
The InChIKey is GXJYKNSPNBYMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO/c1-15-7-8-5-6-11(16-8)9-3-2-4-10(13)12(9)14/h2-6,15H,7H2,1H3.
What are the key properties of 1-[5-(3-chloro-2-fluorophenyl)furan-2-yl]-N-methylmethanamine?
1-[5-(3-chloro-2-fluorophenyl)furan-2-yl]-N-methylmethanamine has a molecular weight of 239.68 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-2-fluorophenyl)furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 43624907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).