N-[1-benzofuran-2-yl-(4-bromo-2-chlorophenyl)methyl]ethanamine

C17H15BrClNO — CID 105043926

IUPACN-[1-benzofuran-2-yl-(4-bromo-2-chlorophenyl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)c1ccc(Br)cc1Cl
InChIInChI=1S/C17H15BrClNO/c1-2-20-17(13-8-7-12(18)10-14(13)19)16-9-11-5-3-4-6-15(11)21-16/h3-10,17,20H,2H2,1H3
InChIKeyGTUOZJHIHFNTQX-UHFFFAOYSA-N
MW364.67 g/mol
LogP5.55
Rot. Bonds4

About N-[1-benzofuran-2-yl-(4-bromo-2-chlorophenyl)methyl]ethanamine

N-[1-benzofuran-2-yl-(4-bromo-2-chlorophenyl)methyl]ethanamine (PubChem CID 105043926) has the molecular formula C17H15BrClNO and a molecular weight of 364.67 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl-(4-bromo-2-chlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl-(4-bromo-2-chlorophenyl)methyl]ethanamine
PubChem CID105043926
Molecular FormulaC17H15BrClNO
Molecular Weight364.67 g/mol
Exact Mass363.00
IUPAC NameN-[1-benzofuran-2-yl-(4-bromo-2-chlorophenyl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)c1ccc(Br)cc1Cl
InChIInChI=1S/C17H15BrClNO/c1-2-20-17(13-8-7-12(18)10-14(13)19)16-9-11-5-3-4-6-15(11)21-16/h3-10,17,20H,2H2,1H3
InChIKeyGTUOZJHIHFNTQX-UHFFFAOYSA-N
XLogP5.55
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.67
LogP ≤ 55.55
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-fluorophenyl)methyl]ethanamine
CID 114906570
N-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine
CID 105044103
N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine
CID 63418365
N-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine
CID 63091494
N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 63091851
N-[1-benzofuran-2-yl-(3-bromo-5-fluorophenyl)methyl]ethanamine
CID 114729461
N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851142
N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 105044180
N-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 103407408
N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43805274
N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine
CID 43805280

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl-(4-bromo-2-chlorophenyl)methyl]ethanamine?
The IUPAC name of N-[1-benzofuran-2-yl-(4-bromo-2-chlorophenyl)methyl]ethanamine (CID 105043926) is N-[1-benzofuran-2-yl-(4-bromo-2-chlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzofuran-2-yl-(4-bromo-2-chlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[1-benzofuran-2-yl-(4-bromo-2-chlorophenyl)methyl]ethanamine is CCNC(c1cc2ccccc2o1)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[1-benzofuran-2-yl-(4-bromo-2-chlorophenyl)methyl]ethanamine?
The InChIKey is GTUOZJHIHFNTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO/c1-2-20-17(13-8-7-12(18)10-14(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-(4-bromo-2-chlorophenyl)methyl]ethanamine?
N-[1-benzofuran-2-yl-(4-bromo-2-chlorophenyl)methyl]ethanamine has a molecular weight of 364.67 g/mol, XLogP of 5.55, 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-(4-bromo-2-chlorophenyl)methyl]ethanamine is sourced from PubChem (CID 105043926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).