[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine

C15H16FNO2 — CID 28965923

IUPAC[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine
SMILESNCc1ccc(OCCOc2ccccc2)c(F)c1
InChIInChI=1S/C15H16FNO2/c16-14-10-12(11-17)6-7-15(14)19-9-8-18-13-4-2-1-3-5-13/h1-7,10H,8-9,11,17H2
InChIKeyZFFPYVPXESMECZ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.74
Rot. Bonds6

About [3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine

[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine (PubChem CID 28965923) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is [3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine
PubChem CID28965923
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine
SMILESNCc1ccc(OCCOc2ccccc2)c(F)c1
InChIInChI=1S/C15H16FNO2/c16-14-10-12(11-17)6-7-15(14)19-9-8-18-13-4-2-1-3-5-13/h1-7,10H,8-9,11,17H2
InChIKeyZFFPYVPXESMECZ-UHFFFAOYSA-N
XLogP2.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol
CID 107690963
[3-[2-(4-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43531314
3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol
CID 43152166
(4-but-3-enoxy-3-fluorophenyl)methanamine
CID 107686236
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine
CID 61101901
[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine
CID 107686331
2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol
CID 107686254
[3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine
CID 107686405
[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine
CID 107686387
2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine
CID 107700188
[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43254110
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine (CID 28965923) is [3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine is NCc1ccc(OCCOc2ccccc2)c(F)c1.
What is the InChIKey of [3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine?
The InChIKey is ZFFPYVPXESMECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-14-10-12(11-17)6-7-15(14)19-9-8-18-13-4-2-1-3-5-13/h1-7,10H,8-9,11,17H2.
What are the key properties of [3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine?
[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine has a molecular weight of 261.30 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine is sourced from PubChem (CID 28965923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).