(5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine

C16H13ClFNO — CID 105046147

IUPAC(5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
SMILESCc1ccc(Cl)cc1C(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C16H13ClFNO/c1-9-2-3-11(17)8-13(9)16(19)15-7-10-6-12(18)4-5-14(10)20-15/h2-8,16H,19H2,1H3
InChIKeyCLQPCNVCPSKNOX-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.58
Rot. Bonds2

About (5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine

(5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine (PubChem CID 105046147) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
PubChem CID105046147
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name(5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
SMILESCc1ccc(Cl)cc1C(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C16H13ClFNO/c1-9-2-3-11(17)8-13(9)16(19)15-7-10-6-12(18)4-5-14(10)20-15/h2-8,16H,19H2,1H3
InChIKeyCLQPCNVCPSKNOX-UHFFFAOYSA-N
XLogP4.58
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046082
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 114726426
(5-chloro-1-benzofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 105045726
(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727555
(2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 114027043
(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046089
(3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114728550
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine
CID 105046160
(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 103407460
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine
CID 105185794
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
(5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine
CID 105046202

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine (CID 105046147) is (5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine is Cc1ccc(Cl)cc1C(N)c1cc2cc(F)ccc2o1.
What is the InChIKey of (5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The InChIKey is CLQPCNVCPSKNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-9-2-3-11(17)8-13(9)16(19)15-7-10-6-12(18)4-5-14(10)20-15/h2-8,16H,19H2,1H3.
What are the key properties of (5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
(5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine has a molecular weight of 289.74 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105046147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).