4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline

C14H16FNO2 — CID 54968451

IUPAC4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline
SMILESCOc1cc(F)ccc1NC(C)c1ccc(C)o1
InChIInChI=1S/C14H16FNO2/c1-9-4-7-13(18-9)10(2)16-12-6-5-11(15)8-14(12)17-3/h4-8,10,16H,1-3H3
InChIKeyZOFCKQWKCRHUEA-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.91
Rot. Bonds4

About 4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline

4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline (PubChem CID 54968451) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline
PubChem CID54968451
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline
SMILESCOc1cc(F)ccc1NC(C)c1ccc(C)o1
InChIInChI=1S/C14H16FNO2/c1-9-4-7-13(18-9)10(2)16-12-6-5-11(15)8-14(12)17-3/h4-8,10,16H,1-3H3
InChIKeyZOFCKQWKCRHUEA-UHFFFAOYSA-N
XLogP3.91
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43728739
5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol
CID 63069226
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-2-methoxyaniline
CID 61221526
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline
CID 61221357
2-(4-fluoro-2-methoxyanilino)propanamide
CID 47165201
2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 61077155
4-[(1R)-1-(4-fluoro-2-methoxyanilino)ethyl]-N-methylbenzenesulfonamide
CID 97337881
4-fluoro-N-[1-[5-fluoro-2-(3-fluorophenoxy)phenyl]ethyl]-2-methoxyaniline
CID 166327462
5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-benzoxazol-2-amine
CID 133314156
4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115916579
2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43196557
2-chloro-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,4-diamine
CID 61476589

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
The IUPAC name of 4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline (CID 54968451) is 4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
The canonical SMILES for 4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline is COc1cc(F)ccc1NC(C)c1ccc(C)o1.
What is the InChIKey of 4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
The InChIKey is ZOFCKQWKCRHUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-9-4-7-13(18-9)10(2)16-12-6-5-11(15)8-14(12)17-3/h4-8,10,16H,1-3H3.
What are the key properties of 4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline has a molecular weight of 249.28 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline is sourced from PubChem (CID 54968451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).