7-(2,5-dichlorophenyl)-N,N-diethyl-5-methyl-2,3-dihydro-1-benzofuran-2-amine

C19H21Cl2NO — CID 69328526

IUPAC7-(2,5-dichlorophenyl)-N,N-diethyl-5-methyl-2,3-dihydro-1-benzofuran-2-amine
SMILESCCN(CC)C1Cc2cc(C)cc(-c3cc(Cl)ccc3Cl)c2O1
InChIInChI=1S/C19H21Cl2NO/c1-4-22(5-2)18-10-13-8-12(3)9-16(19(13)23-18)15-11-14(20)6-7-17(15)21/h6-9,11,18H,4-5,10H2,1-3H3
InChIKeyPCXDLALKHFEIKH-UHFFFAOYSA-N
MW350.29 g/mol
LogP5.57
Rot. Bonds4

About 7-(2,5-dichlorophenyl)-N,N-diethyl-5-methyl-2,3-dihydro-1-benzofuran-2-amine

7-(2,5-dichlorophenyl)-N,N-diethyl-5-methyl-2,3-dihydro-1-benzofuran-2-amine (PubChem CID 69328526) has the molecular formula C19H21Cl2NO and a molecular weight of 350.29 g/mol. Its IUPAC name is 7-(2,5-dichlorophenyl)-N,N-diethyl-5-methyl-2,3-dihydro-1-benzofuran-2-amine.

Molecular Properties

Compound Name7-(2,5-dichlorophenyl)-N,N-diethyl-5-methyl-2,3-dihydro-1-benzofuran-2-amine
PubChem CID69328526
Molecular FormulaC19H21Cl2NO
Molecular Weight350.29 g/mol
Exact Mass349.10
IUPAC Name7-(2,5-dichlorophenyl)-N,N-diethyl-5-methyl-2,3-dihydro-1-benzofuran-2-amine
SMILESCCN(CC)C1Cc2cc(C)cc(-c3cc(Cl)ccc3Cl)c2O1
InChIInChI=1S/C19H21Cl2NO/c1-4-22(5-2)18-10-13-8-12(3)9-16(19(13)23-18)15-11-14(20)6-7-17(15)21/h6-9,11,18H,4-5,10H2,1-3H3
InChIKeyPCXDLALKHFEIKH-UHFFFAOYSA-N
XLogP5.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.29
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dichlorophenyl)-N,N-diethyl-5-methyl-2,3-dihydro-1-benzofuran-2-amine?
The IUPAC name of 7-(2,5-dichlorophenyl)-N,N-diethyl-5-methyl-2,3-dihydro-1-benzofuran-2-amine (CID 69328526) is 7-(2,5-dichlorophenyl)-N,N-diethyl-5-methyl-2,3-dihydro-1-benzofuran-2-amine.
What is the SMILES notation for 7-(2,5-dichlorophenyl)-N,N-diethyl-5-methyl-2,3-dihydro-1-benzofuran-2-amine?
The canonical SMILES for 7-(2,5-dichlorophenyl)-N,N-diethyl-5-methyl-2,3-dihydro-1-benzofuran-2-amine is CCN(CC)C1Cc2cc(C)cc(-c3cc(Cl)ccc3Cl)c2O1.
What is the InChIKey of 7-(2,5-dichlorophenyl)-N,N-diethyl-5-methyl-2,3-dihydro-1-benzofuran-2-amine?
The InChIKey is PCXDLALKHFEIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO/c1-4-22(5-2)18-10-13-8-12(3)9-16(19(13)23-18)15-11-14(20)6-7-17(15)21/h6-9,11,18H,4-5,10H2,1-3H3.
What are the key properties of 7-(2,5-dichlorophenyl)-N,N-diethyl-5-methyl-2,3-dihydro-1-benzofuran-2-amine?
7-(2,5-dichlorophenyl)-N,N-diethyl-5-methyl-2,3-dihydro-1-benzofuran-2-amine has a molecular weight of 350.29 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dichlorophenyl)-N,N-diethyl-5-methyl-2,3-dihydro-1-benzofuran-2-amine is sourced from PubChem (CID 69328526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).