1-(7-chloro-1-benzofuran-2-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine

C16H23ClN2O — CID 114729528

IUPAC1-(7-chloro-1-benzofuran-2-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(N)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H23ClN2O/c1-5-19(6-2)16(3,4)15(18)13-10-11-8-7-9-12(17)14(11)20-13/h7-10,15H,5-6,18H2,1-4H3
InChIKeyVHLROJIZSDJLIH-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.21
Rot. Bonds5

About 1-(7-chloro-1-benzofuran-2-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine

1-(7-chloro-1-benzofuran-2-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine (PubChem CID 114729528) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
PubChem CID114729528
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(N)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H23ClN2O/c1-5-19(6-2)16(3,4)15(18)13-10-11-8-7-9-12(17)14(11)20-13/h7-10,15H,5-6,18H2,1-4H3
InChIKeyVHLROJIZSDJLIH-UHFFFAOYSA-N
XLogP4.21
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7-chloro-1-benzofuran-2-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine 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

2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine
CID 114729527
(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine
CID 114728299
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 114731255
1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine
CID 114729864
1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
CID 103517192
1-(7-chloro-1-benzofuran-2-yl)propan-2-amine
CID 114735430
1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine
CID 114727608
1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
2-(3-bromobutan-2-yl)-7-chloro-1-benzofuran
CID 114732847
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-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine (CID 114729528) is 1-(7-chloro-1-benzofuran-2-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine is CCN(CC)C(C)(C)C(N)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The InChIKey is VHLROJIZSDJLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-5-19(6-2)16(3,4)15(18)13-10-11-8-7-9-12(17)14(11)20-13/h7-10,15H,5-6,18H2,1-4H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
1-(7-chloro-1-benzofuran-2-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine has a molecular weight of 294.83 g/mol, XLogP of 4.21, 5 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-N,2-N-diethyl-2-methylpropane-1,2-diamine is sourced from PubChem (CID 114729528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).