2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine

C17H17Cl2NO — CID 63044758

IUPAC2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H17Cl2NO/c1-20-16(9-11-2-4-14(18)15(19)8-11)12-3-5-17-13(10-12)6-7-21-17/h2-5,8,10,16,20H,6-7,9H2,1H3
InChIKeyGASNFYVMVDVRLP-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.43
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine

2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine (PubChem CID 63044758) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
PubChem CID63044758
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H17Cl2NO/c1-20-16(9-11-2-4-14(18)15(19)8-11)12-3-5-17-13(10-12)6-7-21-17/h2-5,8,10,16,20H,6-7,9H2,1H3
InChIKeyGASNFYVMVDVRLP-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 63046819
[2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
CID 103044304
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947980
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105180217
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064792
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 104542785
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019626
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 43482553
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997578
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine
CID 115819330
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
CID 65450080

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine (CID 63044758) is 2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine is CNC(Cc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine?
The InChIKey is GASNFYVMVDVRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-20-16(9-11-2-4-14(18)15(19)8-11)12-3-5-17-13(10-12)6-7-21-17/h2-5,8,10,16,20H,6-7,9H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine?
2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine has a molecular weight of 322.24 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine is sourced from PubChem (CID 63044758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).