(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine

C15H12Cl3NO — CID 104545363

IUPAC(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine
SMILESNC(c1cc(Cl)cc2c1OCC2)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl3NO/c16-9-6-8-4-5-20-15(8)10(7-9)14(19)13-11(17)2-1-3-12(13)18/h1-3,6-7,14H,4-5,19H2
InChIKeyNDUJALOGLUUINL-UHFFFAOYSA-N
MW328.63 g/mol
LogP4.63
Rot. Bonds2

About (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine (PubChem CID 104545363) has the molecular formula C15H12Cl3NO and a molecular weight of 328.63 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine
PubChem CID104545363
Molecular FormulaC15H12Cl3NO
Molecular Weight328.63 g/mol
Exact Mass327.00
IUPAC Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine
SMILESNC(c1cc(Cl)cc2c1OCC2)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl3NO/c16-9-6-8-4-5-20-15(8)10(7-9)14(19)13-11(17)2-1-3-12(13)18/h1-3,6-7,14H,4-5,19H2
InChIKeyNDUJALOGLUUINL-UHFFFAOYSA-N
XLogP4.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.63
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 107987609
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfanylphenyl)methanamine
CID 104545238
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-difluorophenyl)methanol
CID 104543072
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 104545305
(4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 104545223
5-bromo-7-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543305
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-chlorophenyl)ethanamine
CID 104545138
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,6-dichlorophenyl)methanamine
CID 43330448
7-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 114560746
5-chloro-7-[chloro-(3-iodophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543876
5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543764
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 105031485

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine?
The IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine (CID 104545363) is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine.
What is the SMILES notation for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine?
The canonical SMILES for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine is NC(c1cc(Cl)cc2c1OCC2)c1c(Cl)cccc1Cl.
What is the InChIKey of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine?
The InChIKey is NDUJALOGLUUINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO/c16-9-6-8-4-5-20-15(8)10(7-9)14(19)13-11(17)2-1-3-12(13)18/h1-3,6-7,14H,4-5,19H2.
What are the key properties of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine?
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine has a molecular weight of 328.63 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine is sourced from PubChem (CID 104545363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).