2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline

C15H16FNO — CID 81289951

IUPAC2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline
SMILESCCc1cc(-c2cc(F)ccc2OC)ccc1N
InChIInChI=1S/C15H16FNO/c1-3-10-8-11(4-6-14(10)17)13-9-12(16)5-7-15(13)18-2/h4-9H,3,17H2,1-2H3
InChIKeyUWPPFJUUZGPKDD-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.65
Rot. Bonds3

About 2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline

2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline (PubChem CID 81289951) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline.

Molecular Properties

Compound Name2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline
PubChem CID81289951
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline
SMILESCCc1cc(-c2cc(F)ccc2OC)ccc1N
InChIInChI=1S/C15H16FNO/c1-3-10-8-11(4-6-14(10)17)13-9-12(16)5-7-15(13)18-2/h4-9H,3,17H2,1-2H3
InChIKeyUWPPFJUUZGPKDD-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-(5-fluoro-2-methoxyphenyl)aniline
CID 54912635
2-ethyl-4-(2,4,5-trifluorophenyl)aniline
CID 115503112
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498
4-(3,5-difluorophenyl)-2-ethylaniline
CID 81287141
bis(4-(4-amino-3-ethylphenyl)-2-ethylaniline);hydrate
CID 174861024
2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenol
CID 53219462
2-amino-4-(5-fluoro-2-methoxyphenyl)benzenecarboximidamide
CID 143262005
5-(5-fluoro-2-methoxyphenyl)-2-methylphenol
CID 53218963
5-(4-fluoro-2-methylphenyl)-2-methoxyaniline
CID 54971518
4-(4-chloro-2-fluorophenyl)-2-ethylaniline
CID 81288774
1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54910277
2-ethyl-4-(3-fluoro-2-methylphenyl)aniline
CID 113324468

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline?
The IUPAC name of 2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline (CID 81289951) is 2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline.
What is the SMILES notation for 2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline?
The canonical SMILES for 2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline is CCc1cc(-c2cc(F)ccc2OC)ccc1N.
What is the InChIKey of 2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline?
The InChIKey is UWPPFJUUZGPKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-3-10-8-11(4-6-14(10)17)13-9-12(16)5-7-15(13)18-2/h4-9H,3,17H2,1-2H3.
What are the key properties of 2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline?
2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline has a molecular weight of 245.30 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline is sourced from PubChem (CID 81289951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).