4-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-methylaniline

C17H16FNO2 — CID 62810217

IUPAC4-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-methylaniline
SMILESCOc1cccc2cc(CNc3ccc(F)c(C)c3)oc12
InChIInChI=1S/C17H16FNO2/c1-11-8-13(6-7-15(11)18)19-10-14-9-12-4-3-5-16(20-2)17(12)21-14/h3-9,19H,10H2,1-2H3
InChIKeyZSCPWERDKKQISY-UHFFFAOYSA-N
MW285.32 g/mol
LogP4.50
Rot. Bonds4

About 4-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-methylaniline

4-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-methylaniline (PubChem CID 62810217) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-methylaniline.

Molecular Properties

Compound Name4-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-methylaniline
PubChem CID62810217
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name4-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-methylaniline
SMILESCOc1cccc2cc(CNc3ccc(F)c(C)c3)oc12
InChIInChI=1S/C17H16FNO2/c1-11-8-13(6-7-15(11)18)19-10-14-9-12-4-3-5-16(20-2)17(12)21-14/h3-9,19H,10H2,1-2H3
InChIKeyZSCPWERDKKQISY-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

4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline
CID 43765976
5-chloro-2-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline
CID 43775971
5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline
CID 43764085
4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline
CID 104791781
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline
CID 62810743
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine
CID 43776636
N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
(1R)-1-(4-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 39965978
2-(7-methoxy-1-benzofuran-2-yl)ethanamine
CID 66592603
2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran
CID 19075968
N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline
CID 62809873

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-methylaniline?
The IUPAC name of 4-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-methylaniline (CID 62810217) is 4-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-methylaniline.
What is the SMILES notation for 4-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-methylaniline?
The canonical SMILES for 4-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-methylaniline is COc1cccc2cc(CNc3ccc(F)c(C)c3)oc12.
What is the InChIKey of 4-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-methylaniline?
The InChIKey is ZSCPWERDKKQISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-11-8-13(6-7-15(11)18)19-10-14-9-12-4-3-5-16(20-2)17(12)21-14/h3-9,19H,10H2,1-2H3.
What are the key properties of 4-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-methylaniline?
4-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-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 4-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-methylaniline is sourced from PubChem (CID 62810217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).