4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline

C15H16FNO — CID 107656372

IUPAC4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline
SMILESCc1cccc(OC(C)c2ccc(N)cc2)c1F
InChIInChI=1S/C15H16FNO/c1-10-4-3-5-14(15(10)16)18-11(2)12-6-8-13(17)9-7-12/h3-9,11H,17H2,1-2H3
InChIKeyQBNVEZLLUNWOFT-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.86
Rot. Bonds3

About 4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline

4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline (PubChem CID 107656372) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline
PubChem CID107656372
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline
SMILESCc1cccc(OC(C)c2ccc(N)cc2)c1F
InChIInChI=1S/C15H16FNO/c1-10-4-3-5-14(15(10)16)18-11(2)12-6-8-13(17)9-7-12/h3-9,11H,17H2,1-2H3
InChIKeyQBNVEZLLUNWOFT-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline?
The IUPAC name of 4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline (CID 107656372) is 4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline.
What is the SMILES notation for 4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline?
The canonical SMILES for 4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline is Cc1cccc(OC(C)c2ccc(N)cc2)c1F.
What is the InChIKey of 4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline?
The InChIKey is QBNVEZLLUNWOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10-4-3-5-14(15(10)16)18-11(2)12-6-8-13(17)9-7-12/h3-9,11H,17H2,1-2H3.
What are the key properties of 4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline?
4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline has a molecular weight of 245.30 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline is sourced from PubChem (CID 107656372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).