1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine

C15H20ClNO2 — CID 114731140

IUPAC1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine
SMILESCCCC(OC)C(NC)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H20ClNO2/c1-4-6-12(18-3)14(17-2)13-9-10-7-5-8-11(16)15(10)19-13/h5,7-9,12,14,17H,4,6H2,1-3H3
InChIKeyNASXNICDVRZETD-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.16
Rot. Bonds6

About 1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine

1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine (PubChem CID 114731140) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine
PubChem CID114731140
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine
SMILESCCCC(OC)C(NC)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H20ClNO2/c1-4-6-12(18-3)14(17-2)13-9-10-7-5-8-11(16)15(10)19-13/h5,7-9,12,14,17H,4,6H2,1-3H3
InChIKeyNASXNICDVRZETD-UHFFFAOYSA-N
XLogP4.16
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine 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-1-benzofuran-2-yl)-2-ethoxy-N-methylpentan-1-amine
CID 114731121
1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 114731165
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine
CID 114731148
1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-propylbutan-1-amine
CID 114731108
1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine
CID 114729864
1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 114727492
1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 105048645
1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105048569
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105048673
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105186934
1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N,2-dimethylbutan-1-amine
CID 114731347

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine (CID 114731140) is 1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine is CCCC(OC)C(NC)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine?
The InChIKey is NASXNICDVRZETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-4-6-12(18-3)14(17-2)13-9-10-7-5-8-11(16)15(10)19-13/h5,7-9,12,14,17H,4,6H2,1-3H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine?
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine has a molecular weight of 281.78 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine is sourced from PubChem (CID 114731140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).