1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine

C13H13Cl2NO — CID 107561912

IUPAC1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(Cl)c1)c1ccoc1Cl
InChIInChI=1S/C13H13Cl2NO/c1-8-3-4-9(7-11(8)14)12(16-2)10-5-6-17-13(10)15/h3-7,12,16H,1-2H3
InChIKeyOTFVOKVDDJSDNX-UHFFFAOYSA-N
MW270.16 g/mol
LogP4.20
Rot. Bonds3

About 1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine

1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine (PubChem CID 107561912) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
PubChem CID107561912
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(Cl)c1)c1ccoc1Cl
InChIInChI=1S/C13H13Cl2NO/c1-8-3-4-9(7-11(8)14)12(16-2)10-5-6-17-13(10)15/h3-7,12,16H,1-2H3
InChIKeyOTFVOKVDDJSDNX-UHFFFAOYSA-N
XLogP4.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 106684145
1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106684333
1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302453
1-(2-chlorofuran-3-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 106692255
1-(3-chloro-4-methylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63194706
1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107560807
1-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 63194356
1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine
CID 106693400
1-(3-chloro-4-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103435225
1-(3-chloro-4-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 63194536
1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480147
1-(3-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 63195310

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine (CID 107561912) is 1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine is CNC(c1ccc(C)c(Cl)c1)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine?
The InChIKey is OTFVOKVDDJSDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO/c1-8-3-4-9(7-11(8)14)12(16-2)10-5-6-17-13(10)15/h3-7,12,16H,1-2H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine?
1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine has a molecular weight of 270.16 g/mol, XLogP of 4.20, 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-chloro-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107561912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).