2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine

C16H14Cl3NO — CID 105031485

IUPAC2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine
SMILESNC(Cc1cc(Cl)cc2c1OCC2)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl3NO/c17-11-1-2-14(19)13(8-11)15(20)7-10-6-12(18)5-9-3-4-21-16(9)10/h1-2,5-6,8,15H,3-4,7,20H2
InChIKeyYEANAIFXYCTTLE-UHFFFAOYSA-N
MW342.65 g/mol
LogP4.82
Rot. Bonds3

About 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine (PubChem CID 105031485) has the molecular formula C16H14Cl3NO and a molecular weight of 342.65 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine
PubChem CID105031485
Molecular FormulaC16H14Cl3NO
Molecular Weight342.65 g/mol
Exact Mass341.01
IUPAC Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine
SMILESNC(Cc1cc(Cl)cc2c1OCC2)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl3NO/c17-11-1-2-14(19)13(8-11)15(20)7-10-6-12(18)5-9-3-4-21-16(9)10/h1-2,5-6,8,15H,3-4,7,20H2
InChIKeyYEANAIFXYCTTLE-UHFFFAOYSA-N
XLogP4.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.65
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,3-dimethylphenyl)ethanamine
CID 105031528
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 105031480
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-chlorophenyl)ethanamine
CID 104545138
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 107968958
1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114886812
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)ethanamine
CID 105031502
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-thiophen-3-ylethanamine
CID 113403542
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-ethylthiophen-2-yl)ethanamine
CID 105031533
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethylsulfanylpropan-2-amine
CID 113403571
(2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 107987609

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine (CID 105031485) is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine is NC(Cc1cc(Cl)cc2c1OCC2)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine?
The InChIKey is YEANAIFXYCTTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO/c17-11-1-2-14(19)13(8-11)15(20)7-10-6-12(18)5-9-3-4-21-16(9)10/h1-2,5-6,8,15H,3-4,7,20H2.
What are the key properties of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine?
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine has a molecular weight of 342.65 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine is sourced from PubChem (CID 105031485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).