[5-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine

C14H20FNO2 — CID 107694623

IUPAC[5-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
SMILESNCc1cc(F)ccc1OCCCC1CCCO1
InChIInChI=1S/C14H20FNO2/c15-12-5-6-14(11(9-12)10-16)18-8-2-4-13-3-1-7-17-13/h5-6,9,13H,1-4,7-8,10,16H2
InChIKeyRFQXIDPRCQPOEL-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.62
Rot. Bonds6

About [5-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine

[5-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine (PubChem CID 107694623) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is [5-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
PubChem CID107694623
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name[5-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
SMILESNCc1cc(F)ccc1OCCCC1CCCO1
InChIInChI=1S/C14H20FNO2/c15-12-5-6-14(11(9-12)10-16)18-8-2-4-13-3-1-7-17-13/h5-6,9,13H,1-4,7-8,10,16H2
InChIKeyRFQXIDPRCQPOEL-UHFFFAOYSA-N
XLogP2.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.62
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

2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane
CID 65161375
[2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine
CID 106199490
[3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
CID 65158689
3-methoxy-4-[3-(oxolan-2-yl)propoxy]benzenecarbothioamide
CID 65160952
(1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158458
1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine
CID 65158967
2-[3-(4-bromo-2-methylphenoxy)propyl]oxolane
CID 65161593
2-[5-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65164179
5-bromo-4-fluoro-2-[3-(oxolan-2-yl)propoxy]aniline
CID 103482872
1-[5-methyl-2-[3-(oxolan-2-yl)propoxy]phenyl]butan-2-amine
CID 65164133
5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
CID 40822784
2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
CID 112615284

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine?
The IUPAC name of [5-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine (CID 107694623) is [5-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine is NCc1cc(F)ccc1OCCCC1CCCO1.
What is the InChIKey of [5-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine?
The InChIKey is RFQXIDPRCQPOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c15-12-5-6-14(11(9-12)10-16)18-8-2-4-13-3-1-7-17-13/h5-6,9,13H,1-4,7-8,10,16H2.
What are the key properties of [5-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine?
[5-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine has a molecular weight of 253.32 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine is sourced from PubChem (CID 107694623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).