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

C17H16ClNO — CID 114732182

IUPACN-[[4-(1-benzofuran-2-yl)-2-chlorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc3ccccc3o2)cc1Cl
InChIInChI=1S/C17H16ClNO/c1-2-19-11-14-8-7-13(9-15(14)18)17-10-12-5-3-4-6-16(12)20-17/h3-10,19H,2,11H2,1H3
InChIKeyXAAMGGZXKIWNNH-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.86
Rot. Bonds4

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

N-[[4-(1-benzofuran-2-yl)-2-chlorophenyl]methyl]ethanamine (PubChem CID 114732182) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is N-[[4-(1-benzofuran-2-yl)-2-chlorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(1-benzofuran-2-yl)-2-chlorophenyl]methyl]ethanamine
PubChem CID114732182
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC NameN-[[4-(1-benzofuran-2-yl)-2-chlorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc3ccccc3o2)cc1Cl
InChIInChI=1S/C17H16ClNO/c1-2-19-11-14-8-7-13(9-15(14)18)17-10-12-5-3-4-6-16(12)20-17/h3-10,19H,2,11H2,1H3
InChIKeyXAAMGGZXKIWNNH-UHFFFAOYSA-N
XLogP4.86
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine
CID 114732190
1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine
CID 114732213
4-(1-benzofuran-2-yl)-N-ethylaniline
CID 54143610
N-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine
CID 116545338
N-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 63090592
N-[[2-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732476
2-[3-(4-chlorophenyl)phenyl]-1-benzofuran
CID 170402405
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
6-(1-benzofuran-2-yl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102754018
N-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 54196974
N-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine
CID 114732147
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-benzofuran-2-yl)-2-chlorophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(1-benzofuran-2-yl)-2-chlorophenyl]methyl]ethanamine (CID 114732182) is N-[[4-(1-benzofuran-2-yl)-2-chlorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(1-benzofuran-2-yl)-2-chlorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(1-benzofuran-2-yl)-2-chlorophenyl]methyl]ethanamine is CCNCc1ccc(-c2cc3ccccc3o2)cc1Cl.
What is the InChIKey of N-[[4-(1-benzofuran-2-yl)-2-chlorophenyl]methyl]ethanamine?
The InChIKey is XAAMGGZXKIWNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-2-19-11-14-8-7-13(9-15(14)18)17-10-12-5-3-4-6-16(12)20-17/h3-10,19H,2,11H2,1H3.
What are the key properties of N-[[4-(1-benzofuran-2-yl)-2-chlorophenyl]methyl]ethanamine?
N-[[4-(1-benzofuran-2-yl)-2-chlorophenyl]methyl]ethanamine has a molecular weight of 285.77 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-benzofuran-2-yl)-2-chlorophenyl]methyl]ethanamine is sourced from PubChem (CID 114732182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).