1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine

C15H18ClNOS2 — CID 114730533

IUPAC1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
SMILESCNC(c1cc2cccc(Cl)c2o1)C1SCCSC1C
InChIInChI=1S/C15H18ClNOS2/c1-9-15(20-7-6-19-9)13(17-2)12-8-10-4-3-5-11(16)14(10)18-12/h3-5,8-9,13,15,17H,6-7H2,1-2H3
InChIKeyRMCYZQNLUUQCHX-UHFFFAOYSA-N
MW327.90 g/mol
LogP4.58
Rot. Bonds3

About 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine

1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine (PubChem CID 114730533) has the molecular formula C15H18ClNOS2 and a molecular weight of 327.90 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
PubChem CID114730533
Molecular FormulaC15H18ClNOS2
Molecular Weight327.90 g/mol
Exact Mass327.05
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
SMILESCNC(c1cc2cccc(Cl)c2o1)C1SCCSC1C
InChIInChI=1S/C15H18ClNOS2/c1-9-15(20-7-6-19-9)13(17-2)12-8-10-4-3-5-11(16)14(10)18-12/h3-5,8-9,13,15,17H,6-7H2,1-2H3
InChIKeyRMCYZQNLUUQCHX-UHFFFAOYSA-N
XLogP4.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine with MolForge

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methanol
CID 114727149
1-(2,3-dichlorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
CID 113299545
N-[(7-fluoro-1-benzofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]ethanamine
CID 114730541
N-[(7-chloro-1-benzofuran-2-yl)-(1,4-dithian-2-yl)methyl]ethanamine
CID 114729990
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine
CID 105187005
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105048647
1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764
1-(3-methoxyphenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
CID 113299540
[(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine
CID 105229716
1-(7-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105048424
1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 114727533
N-[(7-chloro-1-benzofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105048624

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine (CID 114730533) is 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine is CNC(c1cc2cccc(Cl)c2o1)C1SCCSC1C.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine?
The InChIKey is RMCYZQNLUUQCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS2/c1-9-15(20-7-6-19-9)13(17-2)12-8-10-4-3-5-11(16)14(10)18-12/h3-5,8-9,13,15,17H,6-7H2,1-2H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine?
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine has a molecular weight of 327.90 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine is sourced from PubChem (CID 114730533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).