2-(3-chloro-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine

C17H17ClN2O — CID 115984884

IUPAC2-(3-chloro-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
SMILESCNC(Cc1ccncc1Cl)c1cc2cc(C)ccc2o1
InChIInChI=1S/C17H17ClN2O/c1-11-3-4-16-13(7-11)9-17(21-16)15(19-2)8-12-5-6-20-10-14(12)18/h3-7,9-10,15,19H,8H2,1-2H3
InChIKeyHNJXXLXJNXODOD-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.29
Rot. Bonds4

About 2-(3-chloro-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine

2-(3-chloro-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 115984884) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
PubChem CID115984884
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name2-(3-chloro-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
SMILESCNC(Cc1ccncc1Cl)c1cc2cc(C)ccc2o1
InChIInChI=1S/C17H17ClN2O/c1-11-3-4-16-13(7-11)9-17(21-16)15(19-2)8-12-5-6-20-10-14(12)18/h3-7,9-10,15,19H,8H2,1-2H3
InChIKeyHNJXXLXJNXODOD-UHFFFAOYSA-N
XLogP4.29
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106866140
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
CID 55012940
2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 112655560
2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105157425
2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 112655458
N-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine
CID 105045111
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine
CID 112655409
1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106854830
[1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105208272
[1-(4-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethyl]hydrazine
CID 105314719
2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 112655632
2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115984864

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine (CID 115984884) is 2-(3-chloro-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine is CNC(Cc1ccncc1Cl)c1cc2cc(C)ccc2o1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is HNJXXLXJNXODOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11-3-4-16-13(7-11)9-17(21-16)15(19-2)8-12-5-6-20-10-14(12)18/h3-7,9-10,15,19H,8H2,1-2H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
2-(3-chloro-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 300.79 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 115984884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).