N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine

C17H15Cl2NO — CID 63418365

IUPACN-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H15Cl2NO/c1-2-20-17(13-10-12(18)7-8-14(13)19)16-9-11-5-3-4-6-15(11)21-16/h3-10,17,20H,2H2,1H3
InChIKeyVCCYCANITBVLHG-UHFFFAOYSA-N
MW320.22 g/mol
LogP5.44
Rot. Bonds4

About N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine

N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine (PubChem CID 63418365) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine
PubChem CID63418365
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC NameN-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H15Cl2NO/c1-2-20-17(13-10-12(18)7-8-14(13)19)16-9-11-5-3-4-6-15(11)21-16/h3-10,17,20H,2H2,1H3
InChIKeyVCCYCANITBVLHG-UHFFFAOYSA-N
XLogP5.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.22
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106858678
N-[1-benzofuran-2-yl-(4-bromo-2-chlorophenyl)methyl]ethanamine
CID 105043926
N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 63091851
N-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine
CID 63091494
N-[1-benzofuran-2-yl-(4-bromo-2-fluorophenyl)methyl]ethanamine
CID 114906570
N-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine
CID 105044103
N-[(5-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 105045861
N-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 103407408
N-[(5-chloro-1-benzofuran-2-yl)-pyridin-2-ylmethyl]ethanamine
CID 114727710
N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492925
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine (CID 63418365) is N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine is CCNC(c1cc2ccccc2o1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine?
The InChIKey is VCCYCANITBVLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c1-2-20-17(13-10-12(18)7-8-14(13)19)16-9-11-5-3-4-6-15(11)21-16/h3-10,17,20H,2H2,1H3.
What are the key properties of N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine?
N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine has a molecular weight of 320.22 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 63418365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).