(7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine

C16H12F3NO — CID 105045627

IUPAC(7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine
SMILESCc1cccc2cc(C(N)c3c(F)cc(F)cc3F)oc12
InChIInChI=1S/C16H12F3NO/c1-8-3-2-4-9-5-13(21-16(8)9)15(20)14-11(18)6-10(17)7-12(14)19/h2-7,15H,20H2,1H3
InChIKeyWKFSYPUNXZSHJQ-UHFFFAOYSA-N
MW291.27 g/mol
LogP4.21
Rot. Bonds2

About (7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine

(7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine (PubChem CID 105045627) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is (7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine
PubChem CID105045627
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name(7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine
SMILESCc1cccc2cc(C(N)c3c(F)cc(F)cc3F)oc12
InChIInChI=1S/C16H12F3NO/c1-8-3-2-4-9-5-13(21-16(8)9)15(20)14-11(18)6-10(17)7-12(14)19/h2-7,15H,20H2,1H3
InChIKeyWKFSYPUNXZSHJQ-UHFFFAOYSA-N
XLogP4.21
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045635
(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047575
(2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 106693197
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
(7-fluoro-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanol
CID 115836932
(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 112614663
2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045588
(7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 105185597
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045662
(2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185520
(7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine
CID 106755901
(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107103118

Frequently Asked Questions

What is the IUPAC name of (7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of (7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine (CID 105045627) is (7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for (7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for (7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine is Cc1cccc2cc(C(N)c3c(F)cc(F)cc3F)oc12.
What is the InChIKey of (7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is WKFSYPUNXZSHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c1-8-3-2-4-9-5-13(21-16(8)9)15(20)14-11(18)6-10(17)7-12(14)19/h2-7,15H,20H2,1H3.
What are the key properties of (7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine?
(7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 291.27 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 105045627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).