1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine

C17H16ClNO — CID 62504958

IUPAC1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C17H16ClNO/c1-19-15(10-12-5-4-7-14(18)9-12)17-11-13-6-2-3-8-16(13)20-17/h2-9,11,15,19H,10H2,1H3
InChIKeyIYBHENMEJSEBNQ-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.59
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine

1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine (PubChem CID 62504958) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
PubChem CID62504958
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C17H16ClNO/c1-19-15(10-12-5-4-7-14(18)9-12)17-11-13-6-2-3-8-16(13)20-17/h2-9,11,15,19H,10H2,1H3
InChIKeyIYBHENMEJSEBNQ-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 114727688
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663
2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 62505102
2-(3-chlorophenyl)-N-methyl-1-naphthalen-2-ylethanamine
CID 63412161
1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine
CID 104802037
1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
CID 64615500
1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine
CID 64621206
1-(1-benzofuran-2-yl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 63091310
[1-(1-benzofuran-2-yl)-2-phenylethyl]hydrazine
CID 105195415
2-(3-chlorophenyl)-1-isoquinolin-4-yl-N-methylethanamine
CID 63940548
2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 63412206

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine (CID 62504958) is 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine is CNC(Cc1cccc(Cl)c1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine?
The InChIKey is IYBHENMEJSEBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-19-15(10-12-5-4-7-14(18)9-12)17-11-13-6-2-3-8-16(13)20-17/h2-9,11,15,19H,10H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine?
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine has a molecular weight of 285.77 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 62504958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).