2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline

C14H17FN2O — CID 62132406

IUPAC2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCCOc1cc(F)ccc1NCc1cccn1C
InChIInChI=1S/C14H17FN2O/c1-3-18-14-9-11(15)6-7-13(14)16-10-12-5-4-8-17(12)2/h4-9,16H,3,10H2,1-2H3
InChIKeyWXQXVWHXBFWGGI-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.17
Rot. Bonds5

About 2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline

2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline (PubChem CID 62132406) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
PubChem CID62132406
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCCOc1cc(F)ccc1NCc1cccn1C
InChIInChI=1S/C14H17FN2O/c1-3-18-14-9-11(15)6-7-13(14)16-10-12-5-4-8-17(12)2/h4-9,16H,3,10H2,1-2H3
InChIKeyWXQXVWHXBFWGGI-UHFFFAOYSA-N
XLogP3.17
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-fluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 62356406
5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132956
N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730035
2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 43730030
2-ethoxy-4-fluoro-N-propylaniline
CID 43730181
N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 66418425
2-ethoxy-4-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62757956
2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115777075
3-[(2-ethoxy-4-fluoroanilino)methyl]benzonitrile
CID 43730072
2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657227
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28876782
2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43729988

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The IUPAC name of 2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline (CID 62132406) is 2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline.
What is the SMILES notation for 2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The canonical SMILES for 2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline is CCOc1cc(F)ccc1NCc1cccn1C.
What is the InChIKey of 2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The InChIKey is WXQXVWHXBFWGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-3-18-14-9-11(15)6-7-13(14)16-10-12-5-4-8-17(12)2/h4-9,16H,3,10H2,1-2H3.
What are the key properties of 2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline?
2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline has a molecular weight of 248.30 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline is sourced from PubChem (CID 62132406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).