[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine

C16H18FNO2 — CID 43254100

IUPAC[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine
SMILESNCc1cccc(OCCCOc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNO2/c17-14-5-7-15(8-6-14)19-9-2-10-20-16-4-1-3-13(11-16)12-18/h1,3-8,11H,2,9-10,12,18H2
InChIKeyORKBXFAQUITVMS-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.13
Rot. Bonds7

About [3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine

[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine (PubChem CID 43254100) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is [3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine
PubChem CID43254100
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine
SMILESNCc1cccc(OCCCOc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNO2/c17-14-5-7-15(8-6-14)19-9-2-10-20-16-4-1-3-13(11-16)12-18/h1,3-8,11H,2,9-10,12,18H2
InChIKeyORKBXFAQUITVMS-UHFFFAOYSA-N
XLogP3.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.13
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-methylsulfanylphenoxy)propoxy]phenyl]methanamine
CID 63649819
1-(2-bromoethyl)-3-[3-(4-fluorophenoxy)propoxy]benzene
CID 19755708
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285
[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43254110
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185
[3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine
CID 43254018
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
5-[3-(aminomethyl)phenoxy]pentan-1-ol
CID 62228589
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
[3-[5-[3-(aminomethyl)phenyl]peroxypentoxy]phenyl]methanamine
CID 22002116

Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine?
The IUPAC name of [3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine (CID 43254100) is [3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine.
What is the SMILES notation for [3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine?
The canonical SMILES for [3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine is NCc1cccc(OCCCOc2ccc(F)cc2)c1.
What is the InChIKey of [3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine?
The InChIKey is ORKBXFAQUITVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c17-14-5-7-15(8-6-14)19-9-2-10-20-16-4-1-3-13(11-16)12-18/h1,3-8,11H,2,9-10,12,18H2.
What are the key properties of [3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine?
[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine has a molecular weight of 275.32 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine is sourced from PubChem (CID 43254100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).