[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine

C15H16FNO2 — CID 43254110

IUPAC[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine
SMILESNCc1ccc(OCCOc2cccc(F)c2)cc1
InChIInChI=1S/C15H16FNO2/c16-13-2-1-3-15(10-13)19-9-8-18-14-6-4-12(11-17)5-7-14/h1-7,10H,8-9,11,17H2
InChIKeySEEYZNCSWHCVDS-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.74
Rot. Bonds6

About [4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine

[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine (PubChem CID 43254110) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is [4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine
PubChem CID43254110
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine
SMILESNCc1ccc(OCCOc2cccc(F)c2)cc1
InChIInChI=1S/C15H16FNO2/c16-13-2-1-3-15(10-13)19-9-8-18-14-6-4-12(11-17)5-7-14/h1-7,10H,8-9,11,17H2
InChIKeySEEYZNCSWHCVDS-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'}

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Related Compounds

[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine
CID 43254100
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
[4-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine
CID 20990903
[4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine
CID 102980810
[4-[3-(3-fluorophenyl)sulfinylpropoxy]phenyl]methanamine
CID 81333382
4-[3-(3-fluorophenoxy)propyl]aniline
CID 113384386
[4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine
CID 63986556
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
2-(3-fluorophenoxy)ethanethiol
CID 79002331
[3-(3-fluorophenoxy)phenyl]methanamine hydroxide
CID 86649819

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine (CID 43254110) is [4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine is NCc1ccc(OCCOc2cccc(F)c2)cc1.
What is the InChIKey of [4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine?
The InChIKey is SEEYZNCSWHCVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-13-2-1-3-15(10-13)19-9-8-18-14-6-4-12(11-17)5-7-14/h1-7,10H,8-9,11,17H2.
What are the key properties of [4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine?
[4-[2-(3-fluorophenoxy)ethoxy]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 [4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 43254110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).