1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine

C13H15Cl2NO — CID 114376423

IUPAC1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCCc1c(CNC)oc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C13H15Cl2NO/c1-3-4-8-11(7-16-2)17-13-10(15)6-5-9(14)12(8)13/h5-6,16H,3-4,7H2,1-2H3
InChIKeyYQJFMMLRPFQRTE-UHFFFAOYSA-N
MW272.17 g/mol
LogP4.41
Rot. Bonds4

About 1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine

1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 114376423) has the molecular formula C13H15Cl2NO and a molecular weight of 272.17 g/mol. Its IUPAC name is 1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID114376423
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17 g/mol
Exact Mass271.05
IUPAC Name1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCCc1c(CNC)oc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C13H15Cl2NO/c1-3-4-8-11(7-16-2)17-13-10(15)6-5-9(14)12(8)13/h5-6,16H,3-4,7H2,1-2H3
InChIKeyYQJFMMLRPFQRTE-UHFFFAOYSA-N
XLogP4.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine 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-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843076
N-methyl-1-(4,5,7-trichloro-3-ethyl-1-benzofuran-2-yl)methanamine
CID 104842865
1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 114377486
N-[(4,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 104842966
N-[(5-bromo-4,7-dichloro-3-propyl-1-benzofuran-2-yl)methyl]ethanamine
CID 107662964
N-[(4-bromo-7-chloro-3-ethyl-1-benzofuran-2-yl)methyl]ethanamine
CID 113459863
N-[(5-bromo-4,7-dichloro-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 107662972
N-[(4-chloro-3-ethyl-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104843191
[4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114376411
1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843083
N-[(3-tert-butyl-7-chloro-4-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114376949
1-(5-bromo-4,7-dichloro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 107662995

Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine (CID 114376423) is 1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine is CCCc1c(CNC)oc2c(Cl)ccc(Cl)c12.
What is the InChIKey of 1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is YQJFMMLRPFQRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c1-3-4-8-11(7-16-2)17-13-10(15)6-5-9(14)12(8)13/h5-6,16H,3-4,7H2,1-2H3.
What are the key properties of 1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine?
1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 272.17 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 114376423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).