2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine

C16H16Cl2N2O — CID 103444356

IUPAC2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)cc2c1OCC2)c1ncccc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-19-14(15-13(18)3-2-5-20-15)9-11-8-12(17)7-10-4-6-21-16(10)11/h2-3,5,7-8,14,19H,4,6,9H2,1H3
InChIKeyJXSNNMRPGKASCE-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.83
Rot. Bonds4

About 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine (PubChem CID 103444356) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine
PubChem CID103444356
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)cc2c1OCC2)c1ncccc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-19-14(15-13(18)3-2-5-20-15)9-11-8-12(17)7-10-4-6-21-16(10)11/h2-3,5,7-8,14,19H,4,6,9H2,1H3
InChIKeyJXSNNMRPGKASCE-UHFFFAOYSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105178387
1-(5-bromofuran-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 105031463
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789934
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 105031429
1-(5-bromothiophen-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 105178440
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105178376
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 104545460
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105258101
2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine
CID 103444324
3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine
CID 104845232
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178379

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine (CID 103444356) is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine is CNC(Cc1cc(Cl)cc2c1OCC2)c1ncccc1Cl.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine?
The InChIKey is JXSNNMRPGKASCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-19-14(15-13(18)3-2-5-20-15)9-11-8-12(17)7-10-4-6-21-16(10)11/h2-3,5,7-8,14,19H,4,6,9H2,1H3.
What are the key properties of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine?
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine has a molecular weight of 323.22 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 103444356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).