[3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine

C16H18FNO2 — CID 64854022

IUPAC[3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine
SMILESCc1ccc(F)c(OCCOc2cccc(CN)c2)c1
InChIInChI=1S/C16H18FNO2/c1-12-5-6-15(17)16(9-12)20-8-7-19-14-4-2-3-13(10-14)11-18/h2-6,9-10H,7-8,11,18H2,1H3
InChIKeyCOPXHAGTCIBPKF-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.05
Rot. Bonds6

About [3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine

[3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine (PubChem CID 64854022) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is [3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine
PubChem CID64854022
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name[3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine
SMILESCc1ccc(F)c(OCCOc2cccc(CN)c2)c1
InChIInChI=1S/C16H18FNO2/c1-12-5-6-15(17)16(9-12)20-8-7-19-14-4-2-3-13(10-14)11-18/h2-6,9-10H,7-8,11,18H2,1H3
InChIKeyCOPXHAGTCIBPKF-UHFFFAOYSA-N
XLogP3.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.05
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
2-[2-(3-bromophenoxy)ethoxy]-1-fluoro-4-methylbenzene
CID 64854074
[3-[3-(2-chloro-5-methylphenoxy)propoxy]phenyl]methanamine
CID 43531016
[3-[2-(4-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43531314
2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine
CID 22687843
[3-[3-(2,4-dichlorophenoxy)propoxy]phenyl]methanamine
CID 43531172
[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine
CID 20988768
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
[3-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]phenyl]methanamine
CID 22683215
[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine
CID 43254100
[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
[4-[2-(5-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine
CID 114671943

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine (CID 64854022) is [3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine is Cc1ccc(F)c(OCCOc2cccc(CN)c2)c1.
What is the InChIKey of [3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine?
The InChIKey is COPXHAGTCIBPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-12-5-6-15(17)16(9-12)20-8-7-19-14-4-2-3-13(10-14)11-18/h2-6,9-10H,7-8,11,18H2,1H3.
What are the key properties of [3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine?
[3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine has a molecular weight of 275.32 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 64854022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).