1-(6-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine

C11H14ClNO — CID 83909725

IUPAC1-(6-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
SMILESCNCC1c2ccc(Cl)cc2OC1C
InChIInChI=1S/C11H14ClNO/c1-7-10(6-13-2)9-4-3-8(12)5-11(9)14-7/h3-5,7,10,13H,6H2,1-2H3
InChIKeyCGSNFKZBEGVMDS-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.42
Rot. Bonds2

About 1-(6-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine

1-(6-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine (PubChem CID 83909725) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-(6-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
PubChem CID83909725
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-(6-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
SMILESCNCC1c2ccc(Cl)cc2OC1C
InChIInChI=1S/C11H14ClNO/c1-7-10(6-13-2)9-4-3-8(12)5-11(9)14-7/h3-5,7,10,13H,6H2,1-2H3
InChIKeyCGSNFKZBEGVMDS-UHFFFAOYSA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine (CID 83909725) is 1-(6-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine is CNCC1c2ccc(Cl)cc2OC1C.
What is the InChIKey of 1-(6-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine?
The InChIKey is CGSNFKZBEGVMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7-10(6-13-2)9-4-3-8(12)5-11(9)14-7/h3-5,7,10,13H,6H2,1-2H3.
What are the key properties of 1-(6-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine?
1-(6-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine has a molecular weight of 211.69 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine is sourced from PubChem (CID 83909725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).