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

C17H15ClFNO — CID 105099607

IUPAC1-(2-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1ccccc1Cl)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C17H15ClFNO/c1-10-13-9-11(19)7-8-15(13)21-17(10)16(20-2)12-5-3-4-6-14(12)18/h3-9,16,20H,1-2H3
InChIKeyVDEFGZNXZQHHSX-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.84
Rot. Bonds3

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

1-(2-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 105099607) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID105099607
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name1-(2-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1ccccc1Cl)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C17H15ClFNO/c1-10-13-9-11(19)7-8-15(13)21-17(10)16(20-2)12-5-3-4-6-14(12)18/h3-9,16,20H,1-2H3
InChIKeyVDEFGZNXZQHHSX-UHFFFAOYSA-N
XLogP4.84
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 105092272
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 105148590
2-(1-chloro-2-methylpropyl)-5-fluoro-3-methyl-1-benzofuran
CID 66778604
1-(2-chloro-4-fluorophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 62946377
1-(2-chlorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55110975
N-[(5-chlorothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105173343
1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105046105
1-(2-chloro-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylmethanamine
CID 105397270
1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55125063
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078061
(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine
CID 62073399
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 105147146

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine (CID 105099607) is 1-(2-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine is CNC(c1ccccc1Cl)c1oc2ccc(F)cc2c1C.
What is the InChIKey of 1-(2-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is VDEFGZNXZQHHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c1-10-13-9-11(19)7-8-15(13)21-17(10)16(20-2)12-5-3-4-6-14(12)18/h3-9,16,20H,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine?
1-(2-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 303.76 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105099607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).