1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine

C12H10Cl3NO — CID 106684145

IUPAC1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)c1ccoc1Cl
InChIInChI=1S/C12H10Cl3NO/c1-16-11(8-4-5-17-12(8)15)7-2-3-9(13)10(14)6-7/h2-6,11,16H,1H3
InChIKeyFMGWADRCZZHFIP-UHFFFAOYSA-N
MW290.58 g/mol
LogP4.55
Rot. Bonds3

About 1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine

1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine (PubChem CID 106684145) has the molecular formula C12H10Cl3NO and a molecular weight of 290.58 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
PubChem CID106684145
Molecular FormulaC12H10Cl3NO
Molecular Weight290.58 g/mol
Exact Mass288.98
IUPAC Name1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)c1ccoc1Cl
InChIInChI=1S/C12H10Cl3NO/c1-16-11(8-4-5-17-12(8)15)7-2-3-9(13)10(14)6-7/h2-6,11,16H,1H3
InChIKeyFMGWADRCZZHFIP-UHFFFAOYSA-N
XLogP4.55
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.58
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107561912
1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106684333
1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine
CID 106693400
1-(2-chlorofuran-3-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 106692255
1-(3,4-dichlorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79215705
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696
1-(2-chlorofuran-3-yl)-1-(3-cyclobutylphenyl)-N-methylmethanamine
CID 106693358
1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 43486537
1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 106692898
1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43486543
1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 103215149
1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481911

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine (CID 106684145) is 1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine is CNC(c1ccc(Cl)c(Cl)c1)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine?
The InChIKey is FMGWADRCZZHFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3NO/c1-16-11(8-4-5-17-12(8)15)7-2-3-9(13)10(14)6-7/h2-6,11,16H,1H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine?
1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine has a molecular weight of 290.58 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 106684145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).