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

C17H17Cl2NO — CID 105031480

IUPAC2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)Cc2cc(Cl)cc3c2OCC3)c1Cl
InChIInChI=1S/C17H17Cl2NO/c1-10-3-2-4-14(16(10)19)15(20)9-12-8-13(18)7-11-5-6-21-17(11)12/h2-4,7-8,15H,5-6,9,20H2,1H3
InChIKeyKHOSTERBTKKHJE-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.48
Rot. Bonds3

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

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine (PubChem CID 105031480) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine
PubChem CID105031480
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)Cc2cc(Cl)cc3c2OCC3)c1Cl
InChIInChI=1S/C17H17Cl2NO/c1-10-3-2-4-14(16(10)19)15(20)9-12-8-13(18)7-11-5-6-21-17(11)12/h2-4,7-8,15H,5-6,9,20H2,1H3
InChIKeyKHOSTERBTKKHJE-UHFFFAOYSA-N
XLogP4.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.48
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-methyl-3-pyridinyl)ethanamine
CID 105178387
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 105031485
3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-1-phenylpropan-1-amine
CID 104845232
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 107968958
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methylphenyl)ethanamine
CID 114745152
1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114886812
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-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 105178427
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-ethylthiophen-2-yl)ethanamine
CID 105031533
1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 115830807
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 104545220

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine (CID 105031480) is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine is Cc1cccc(C(N)Cc2cc(Cl)cc3c2OCC3)c1Cl.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine?
The InChIKey is KHOSTERBTKKHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-10-3-2-4-14(16(10)19)15(20)9-12-8-13(18)7-11-5-6-21-17(11)12/h2-4,7-8,15H,5-6,9,20H2,1H3.
What are the key properties of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine?
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-chloro-3-methylphenyl)ethanamine has a molecular weight of 322.24 g/mol, XLogP of 4.48, 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-chloro-3-methylphenyl)ethanamine is sourced from PubChem (CID 105031480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).