1-(2-chloro-1-benzofuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine

C15H14ClNOS — CID 82705338

IUPAC1-(2-chloro-1-benzofuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccsc1CNCc1c(Cl)oc2ccccc12
InChIInChI=1S/C15H14ClNOS/c1-10-6-7-19-14(10)9-17-8-12-11-4-2-3-5-13(11)18-15(12)16/h2-7,17H,8-9H2,1H3
InChIKeyMIDLKDSPVIXVPC-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.75
Rot. Bonds4

About 1-(2-chloro-1-benzofuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine

1-(2-chloro-1-benzofuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine (PubChem CID 82705338) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-(2-chloro-1-benzofuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-1-benzofuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
PubChem CID82705338
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC Name1-(2-chloro-1-benzofuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccsc1CNCc1c(Cl)oc2ccccc12
InChIInChI=1S/C15H14ClNOS/c1-10-6-7-19-14(10)9-17-8-12-11-4-2-3-5-13(11)18-15(12)16/h2-7,17H,8-9H2,1H3
InChIKeyMIDLKDSPVIXVPC-UHFFFAOYSA-N
XLogP4.75
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1-benzofuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-chloro-1-benzofuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine (CID 82705338) is 1-(2-chloro-1-benzofuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-1-benzofuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chloro-1-benzofuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine is Cc1ccsc1CNCc1c(Cl)oc2ccccc12.
What is the InChIKey of 1-(2-chloro-1-benzofuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The InChIKey is MIDLKDSPVIXVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c1-10-6-7-19-14(10)9-17-8-12-11-4-2-3-5-13(11)18-15(12)16/h2-7,17H,8-9H2,1H3.
What are the key properties of 1-(2-chloro-1-benzofuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine?
1-(2-chloro-1-benzofuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine has a molecular weight of 291.80 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1-benzofuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 82705338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).