1-(5-chlorofuran-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine

C13H12Cl3NO — CID 106691674

IUPAC1-(5-chlorofuran-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1c(Cl)cccc1Cl)c1ccc(Cl)o1
InChIInChI=1S/C13H12Cl3NO/c1-17-11(12-5-6-13(16)18-12)7-8-9(14)3-2-4-10(8)15/h2-6,11,17H,7H2,1H3
InChIKeyLHPKMMAOECLHGR-UHFFFAOYSA-N
MW304.60 g/mol
LogP4.74
Rot. Bonds4

About 1-(5-chlorofuran-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine

1-(5-chlorofuran-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine (PubChem CID 106691674) has the molecular formula C13H12Cl3NO and a molecular weight of 304.60 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
PubChem CID106691674
Molecular FormulaC13H12Cl3NO
Molecular Weight304.60 g/mol
Exact Mass303.00
IUPAC Name1-(5-chlorofuran-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1c(Cl)cccc1Cl)c1ccc(Cl)o1
InChIInChI=1S/C13H12Cl3NO/c1-17-11(12-5-6-13(16)18-12)7-8-9(14)3-2-4-10(8)15/h2-6,11,17H,7H2,1H3
InChIKeyLHPKMMAOECLHGR-UHFFFAOYSA-N
XLogP4.74
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.60
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine
CID 112709867
1-(5-chlorofuran-2-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 106688071
2-(2,6-dichlorophenyl)-1-(3,5-difluorophenyl)-N-methylethanamine
CID 63417365
1-(5-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830664
1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830438
1-(5-chlorofuran-2-yl)-2-ethoxy-N-methylethanamine
CID 106692547
1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830504
N-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 115830503
1-(2,5-dibromothiophen-3-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 107968086
2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 61080026
2-(2,6-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503368
2-(2,6-dichlorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65363305

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine (CID 106691674) is 1-(5-chlorofuran-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine is CNC(Cc1c(Cl)cccc1Cl)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine?
The InChIKey is LHPKMMAOECLHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3NO/c1-17-11(12-5-6-13(16)18-12)7-8-9(14)3-2-4-10(8)15/h2-6,11,17H,7H2,1H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine?
1-(5-chlorofuran-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine has a molecular weight of 304.60 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 106691674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).