1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine

C17H15ClFNO — CID 105046105

IUPAC1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1cc2cc(F)ccc2o1)c1cccc(C)c1Cl
InChIInChI=1S/C17H15ClFNO/c1-10-4-3-5-13(16(10)18)17(20-2)15-9-11-8-12(19)6-7-14(11)21-15/h3-9,17,20H,1-2H3
InChIKeyJQDHLZKVXZJQKB-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.84
Rot. Bonds3

About 1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine

1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 105046105) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID105046105
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1cc2cc(F)ccc2o1)c1cccc(C)c1Cl
InChIInChI=1S/C17H15ClFNO/c1-10-4-3-5-13(16(10)18)17(20-2)15-9-11-8-12(19)6-7-14(11)21-15/h3-9,17,20H,1-2H3
InChIKeyJQDHLZKVXZJQKB-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-(2,3-dimethylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105045995
1-(2-bromo-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 107985443
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 114730648
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 114727892
1-(5-chloro-1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 114728510
1-(2-chloro-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylmethanamine
CID 105397270
1-(3-chloro-4-pyridinyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105185873
1-(2,3-dimethylphenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045109
1-(5-chloro-1-benzofuran-2-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114728517
1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114730411
1-(2-bromo-5-fluorophenyl)-1-(5-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105045763
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114727953

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine (CID 105046105) is 1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine is CNC(c1cc2cc(F)ccc2o1)c1cccc(C)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is JQDHLZKVXZJQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c1-10-4-3-5-13(16(10)18)17(20-2)15-9-11-8-12(19)6-7-14(11)21-15/h3-9,17,20H,1-2H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
1-(2-chloro-3-methylphenyl)-1-(5-fluoro-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-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105046105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).