2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine

C17H15ClFNO — CID 114727688

IUPAC2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H15ClFNO/c1-20-15(8-11-3-2-4-13(18)7-11)17-10-12-9-14(19)5-6-16(12)21-17/h2-7,9-10,15,20H,8H2,1H3
InChIKeyNVPICFLBSROCJP-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.73
Rot. Bonds4

About 2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine

2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine (PubChem CID 114727688) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
PubChem CID114727688
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H15ClFNO/c1-20-15(8-11-3-2-4-13(18)7-11)17-10-12-9-14(19)5-6-16(12)21-17/h2-7,9-10,15,20H,8H2,1H3
InChIKeyNVPICFLBSROCJP-UHFFFAOYSA-N
XLogP4.73
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 62504958
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663
N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine
CID 114727698
2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 62505102
1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine
CID 105046111
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 63412206
1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105046105
1-(5-chloro-1-benzofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 114727543
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
CID 105185778
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 61063993

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine (CID 114727688) is 2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine is CNC(Cc1cccc(Cl)c1)c1cc2cc(F)ccc2o1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine?
The InChIKey is NVPICFLBSROCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c1-20-15(8-11-3-2-4-13(18)7-11)17-10-12-9-14(19)5-6-16(12)21-17/h2-7,9-10,15,20H,8H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine?
2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine has a molecular weight of 303.76 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine is sourced from PubChem (CID 114727688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).