5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline

C17H16FNO2 — CID 43764085

IUPAC5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline
SMILESCOc1cccc2cc(CNc3cc(F)ccc3C)oc12
InChIInChI=1S/C17H16FNO2/c1-11-6-7-13(18)9-15(11)19-10-14-8-12-4-3-5-16(20-2)17(12)21-14/h3-9,19H,10H2,1-2H3
InChIKeyVYQCMFBSFODMJO-UHFFFAOYSA-N
MW285.32 g/mol
LogP4.50
Rot. Bonds4

About 5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline

5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline (PubChem CID 43764085) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline
PubChem CID43764085
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline
SMILESCOc1cccc2cc(CNc3cc(F)ccc3C)oc12
InChIInChI=1S/C17H16FNO2/c1-11-6-7-13(18)9-15(11)19-10-14-8-12-4-3-5-16(20-2)17(12)21-14/h3-9,19H,10H2,1-2H3
InChIKeyVYQCMFBSFODMJO-UHFFFAOYSA-N
XLogP4.50
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline
CID 43775971
4-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-methylaniline
CID 62810217
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 55410255
2,5-dichloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline
CID 43757157
4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline
CID 43765976
(1R)-1-(4-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 39965978
N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
2-(7-methoxy-1-benzofuran-2-yl)-N-methylethanamine
CID 70557286
2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran
CID 19075968
1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol
CID 115630665
1-(7-methoxy-1-benzofuran-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305695

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline?
The IUPAC name of 5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline (CID 43764085) is 5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline.
What is the SMILES notation for 5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline?
The canonical SMILES for 5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline is COc1cccc2cc(CNc3cc(F)ccc3C)oc12.
What is the InChIKey of 5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline?
The InChIKey is VYQCMFBSFODMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-11-6-7-13(18)9-15(11)19-10-14-8-12-4-3-5-16(20-2)17(12)21-14/h3-9,19H,10H2,1-2H3.
What are the key properties of 5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline?
5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline has a molecular weight of 285.32 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline is sourced from PubChem (CID 43764085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).