4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline

C15H16FNO — CID 54939816

IUPAC4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline
SMILESCc1cc(F)ccc1NCCOc1ccccc1
InChIInChI=1S/C15H16FNO/c1-12-11-13(16)7-8-15(12)17-9-10-18-14-5-3-2-4-6-14/h2-8,11,17H,9-10H2,1H3
InChIKeyGDIUATQVEPKHQB-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.63
Rot. Bonds5

About 4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline

4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline (PubChem CID 54939816) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline
PubChem CID54939816
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline
SMILESCc1cc(F)ccc1NCCOc1ccccc1
InChIInChI=1S/C15H16FNO/c1-12-11-13(16)7-8-15(12)17-9-10-18-14-5-3-2-4-6-14/h2-8,11,17H,9-10H2,1H3
InChIKeyGDIUATQVEPKHQB-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(2-phenoxyethylamino)benzonitrile
CID 63674810
4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 35609122
2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline
CID 104726919
CID 71046582
CID 71046582
4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline
CID 55590956
4-bromo-3,5-dimethyl-N-(2-phenoxyethyl)aniline
CID 107573411
1-(5-fluoro-2-methylphenyl)-3-phenoxypropan-1-amine
CID 55134645
2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 60679505
N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline
CID 62572127
2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 60679514
N-(3,3-dimethylbutyl)-4-fluoro-2-methylaniline
CID 60679968
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline
CID 60679438

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline?
The IUPAC name of 4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline (CID 54939816) is 4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline.
What is the SMILES notation for 4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline?
The canonical SMILES for 4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline is Cc1cc(F)ccc1NCCOc1ccccc1.
What is the InChIKey of 4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline?
The InChIKey is GDIUATQVEPKHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-12-11-13(16)7-8-15(12)17-9-10-18-14-5-3-2-4-6-14/h2-8,11,17H,9-10H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline?
4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline has a molecular weight of 245.30 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline is sourced from PubChem (CID 54939816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).