1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine

C15H18ClNOS — CID 105187005

IUPAC1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine
SMILESCNC(c1cc2cccc(Cl)c2o1)C1(C)CCCS1
InChIInChI=1S/C15H18ClNOS/c1-15(7-4-8-19-15)14(17-2)12-9-10-5-3-6-11(16)13(10)18-12/h3,5-6,9,14,17H,4,7-8H2,1-2H3
InChIKeyBYIGFBQEAWSETI-UHFFFAOYSA-N
MW295.83 g/mol
LogP4.63
Rot. Bonds3

About 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine

1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine (PubChem CID 105187005) has the molecular formula C15H18ClNOS and a molecular weight of 295.83 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine
PubChem CID105187005
Molecular FormulaC15H18ClNOS
Molecular Weight295.83 g/mol
Exact Mass295.08
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine
SMILESCNC(c1cc2cccc(Cl)c2o1)C1(C)CCCS1
InChIInChI=1S/C15H18ClNOS/c1-15(7-4-8-19-15)14(17-2)12-9-10-5-3-6-11(16)13(10)18-12/h3,5-6,9,14,17H,4,7-8H2,1-2H3
InChIKeyBYIGFBQEAWSETI-UHFFFAOYSA-N
XLogP4.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105048569
N-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830655
N-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 114730941
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
CID 114730533
(7-chloro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanol
CID 114727098
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-(7-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105048424
[(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine
CID 107194873
1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 114727533
(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
1-(furan-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine
CID 105146736

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine (CID 105187005) is 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine is CNC(c1cc2cccc(Cl)c2o1)C1(C)CCCS1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine?
The InChIKey is BYIGFBQEAWSETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-15(7-4-8-19-15)14(17-2)12-9-10-5-3-6-11(16)13(10)18-12/h3,5-6,9,14,17H,4,7-8H2,1-2H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine?
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine has a molecular weight of 295.83 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine is sourced from PubChem (CID 105187005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).