1-(5-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine

C14H11Cl2NOS — CID 105045730

IUPAC1-(5-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc2cc(Cl)ccc2o1)c1sccc1Cl
InChIInChI=1S/C14H11Cl2NOS/c1-17-13(14-10(16)4-5-19-14)12-7-8-6-9(15)2-3-11(8)18-12/h2-7,13,17H,1H3
InChIKeyRAPHFPGPFVAHJZ-UHFFFAOYSA-N
MW312.22 g/mol
LogP5.11
Rot. Bonds3

About 1-(5-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine

1-(5-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine (PubChem CID 105045730) has the molecular formula C14H11Cl2NOS and a molecular weight of 312.22 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
PubChem CID105045730
Molecular FormulaC14H11Cl2NOS
Molecular Weight312.22 g/mol
Exact Mass310.99
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc2cc(Cl)ccc2o1)c1sccc1Cl
InChIInChI=1S/C14H11Cl2NOS/c1-17-13(14-10(16)4-5-19-14)12-7-8-6-9(15)2-3-11(8)18-12/h2-7,13,17H,1H3
InChIKeyRAPHFPGPFVAHJZ-UHFFFAOYSA-N
XLogP5.11
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.22
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114727660
1-(7-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105048424
1-(5-chloro-1-benzofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine
CID 114728551
N-[(3-bromothiophen-2-yl)-(5-chloro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045794
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 105046222
1-(5-chloro-1-benzofuran-2-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114728517
1-(5-chloro-1-benzofuran-2-yl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 105045789
1-(5-chloro-1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 114728510
(3-chlorothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045316
1-(5-chloro-1-benzofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 114727543
1-(4-bromo-2-fluorophenyl)-1-(5-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 114906435
1-(2-bromo-5-fluorophenyl)-1-(5-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105045763

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine (CID 105045730) is 1-(5-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine is CNC(c1cc2cc(Cl)ccc2o1)c1sccc1Cl.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine?
The InChIKey is RAPHFPGPFVAHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NOS/c1-17-13(14-10(16)4-5-19-14)12-7-8-6-9(15)2-3-11(8)18-12/h2-7,13,17H,1H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine?
1-(5-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine has a molecular weight of 312.22 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105045730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).