1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine

C14H18ClNO — CID 65439269

IUPAC1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1cc2c(C)c(Cl)c(C)cc2o1
InChIInChI=1S/C14H18ClNO/c1-5-11(16-4)13-7-10-9(3)14(15)8(2)6-12(10)17-13/h6-7,11,16H,5H2,1-4H3
InChIKeyIOIXCCHDPASCCM-UHFFFAOYSA-N
MW251.76 g/mol
LogP4.37
Rot. Bonds3

About 1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine

1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine (PubChem CID 65439269) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine
PubChem CID65439269
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1cc2c(C)c(Cl)c(C)cc2o1
InChIInChI=1S/C14H18ClNO/c1-5-11(16-4)13-7-10-9(3)14(15)8(2)6-12(10)17-13/h6-7,11,16H,5H2,1-4H3
InChIKeyIOIXCCHDPASCCM-UHFFFAOYSA-N
XLogP4.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine (CID 65439269) is 1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine is CCC(NC)c1cc2c(C)c(Cl)c(C)cc2o1.
What is the InChIKey of 1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine?
The InChIKey is IOIXCCHDPASCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-5-11(16-4)13-7-10-9(3)14(15)8(2)6-12(10)17-13/h6-7,11,16H,5H2,1-4H3.
What are the key properties of 1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine?
1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine has a molecular weight of 251.76 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 65439269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).