[4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine

C16H18FNO2 — CID 102980810

IUPAC[4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine
SMILESCc1ccc(F)cc1OCCOc1ccc(CN)cc1
InChIInChI=1S/C16H18FNO2/c1-12-2-5-14(17)10-16(12)20-9-8-19-15-6-3-13(11-18)4-7-15/h2-7,10H,8-9,11,18H2,1H3
InChIKeyYJFUQSLAAZCDJR-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.05
Rot. Bonds6

About [4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine

[4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine (PubChem CID 102980810) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is [4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine
PubChem CID102980810
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name[4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine
SMILESCc1ccc(F)cc1OCCOc1ccc(CN)cc1
InChIInChI=1S/C16H18FNO2/c1-12-2-5-14(17)10-16(12)20-9-8-19-15-6-3-13(11-18)4-7-15/h2-7,10H,8-9,11,18H2,1H3
InChIKeyYJFUQSLAAZCDJR-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-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine
CID 20988768
[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine
CID 107655709
[4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine
CID 107168782
[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43254110
[4-[3-(2-bromo-4-fluorophenoxy)propoxy]phenyl]methanamine
CID 43531037
[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 20989786
1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene
CID 59416560
[4-[3-(2-fluoro-5-methylphenoxy)propoxy]phenyl]methanamine
CID 64856154
2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 102986660
[4-[2-(2-bromo-4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 104706837
2,4-bis(2-fluoroethoxy)-1-methylbenzene
CID 15058706
[4-[2-(5-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine
CID 114671943

Frequently Asked Questions

What is the IUPAC name of [4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine (CID 102980810) is [4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine is Cc1ccc(F)cc1OCCOc1ccc(CN)cc1.
What is the InChIKey of [4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine?
The InChIKey is YJFUQSLAAZCDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-12-2-5-14(17)10-16(12)20-9-8-19-15-6-3-13(11-18)4-7-15/h2-7,10H,8-9,11,18H2,1H3.
What are the key properties of [4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine?
[4-[2-(5-fluoro-2-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 [4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 102980810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).