1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine

C12H10Cl2FNO — CID 106693400

IUPAC1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1Cl)c1ccoc1Cl
InChIInChI=1S/C12H10Cl2FNO/c1-16-11(8-4-5-17-12(8)14)9-6-7(15)2-3-10(9)13/h2-6,11,16H,1H3
InChIKeyAZQPJIWMWONYTL-UHFFFAOYSA-N
MW274.12 g/mol
LogP4.03
Rot. Bonds3

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

1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine (PubChem CID 106693400) has the molecular formula C12H10Cl2FNO and a molecular weight of 274.12 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine
PubChem CID106693400
Molecular FormulaC12H10Cl2FNO
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1Cl)c1ccoc1Cl
InChIInChI=1S/C12H10Cl2FNO/c1-16-11(8-4-5-17-12(8)14)9-6-7(15)2-3-10(9)13/h2-6,11,16H,1H3
InChIKeyAZQPJIWMWONYTL-UHFFFAOYSA-N
XLogP4.03
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 105394908
1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 106684145
1-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 105396938
1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106684333
1-(2-chlorofuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 106691466
1-(2-chloro-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482921
1-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 43484074
1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 105395258
1-(2-chloro-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylmethanamine
CID 105397270
1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107561912
1-(2-chloro-5-fluorophenyl)-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 105397291
1-(2-chloro-4,5-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 107476209

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine (CID 106693400) is 1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine is CNC(c1cc(F)ccc1Cl)c1ccoc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine?
The InChIKey is AZQPJIWMWONYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FNO/c1-16-11(8-4-5-17-12(8)14)9-6-7(15)2-3-10(9)13/h2-6,11,16H,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine?
1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine has a molecular weight of 274.12 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine is sourced from PubChem (CID 106693400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).