[4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine

C17H20FNO2 — CID 107168782

IUPAC[4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine
SMILESCc1ccc(OCCCOc2ccc(CN)cc2)cc1F
InChIInChI=1S/C17H20FNO2/c1-13-3-6-16(11-17(13)18)21-10-2-9-20-15-7-4-14(12-19)5-8-15/h3-8,11H,2,9-10,12,19H2,1H3
InChIKeyYAXGZYDSORZTBA-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.44
Rot. Bonds7

About [4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine

[4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine (PubChem CID 107168782) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is [4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine
PubChem CID107168782
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name[4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine
SMILESCc1ccc(OCCCOc2ccc(CN)cc2)cc1F
InChIInChI=1S/C17H20FNO2/c1-13-3-6-16(11-17(13)18)21-10-2-9-20-15-7-4-14(12-19)5-8-15/h3-8,11H,2,9-10,12,19H2,1H3
InChIKeyYAXGZYDSORZTBA-UHFFFAOYSA-N
XLogP3.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-(2-fluoro-5-methylphenoxy)propoxy]phenyl]methanamine
CID 64856154
[4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine
CID 102980810
3-(3-fluoro-4-methylphenoxy)propan-1-ol
CID 107170036
2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
[4-[3-(4-chloro-2-methylphenoxy)propoxy]phenyl]methanamine
CID 43531205
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine
CID 43254100
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43254110
2-fluoro-1-methyl-4-(4-methylpentoxy)benzene
CID 107171422
9-(3-fluoro-4-methylphenoxy)nonane-1-thiol
CID 107171679

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine?
The IUPAC name of [4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine (CID 107168782) is [4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine.
What is the SMILES notation for [4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine?
The canonical SMILES for [4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine is Cc1ccc(OCCCOc2ccc(CN)cc2)cc1F.
What is the InChIKey of [4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine?
The InChIKey is YAXGZYDSORZTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-13-3-6-16(11-17(13)18)21-10-2-9-20-15-7-4-14(12-19)5-8-15/h3-8,11H,2,9-10,12,19H2,1H3.
What are the key properties of [4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine?
[4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine has a molecular weight of 289.35 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine is sourced from PubChem (CID 107168782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).