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

C15H22FNO2 — CID 112615284

IUPAC2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
SMILESNCCc1cccc(F)c1OCCCC1CCCO1
InChIInChI=1S/C15H22FNO2/c16-14-7-1-4-12(8-9-17)15(14)19-11-3-6-13-5-2-10-18-13/h1,4,7,13H,2-3,5-6,8-11,17H2
InChIKeyVCZFTIDOACHBGP-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.66
Rot. Bonds7

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

2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine (PubChem CID 112615284) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
PubChem CID112615284
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
SMILESNCCc1cccc(F)c1OCCCC1CCCO1
InChIInChI=1S/C15H22FNO2/c16-14-7-1-4-12(8-9-17)15(14)19-11-3-6-13-5-2-10-18-13/h1,4,7,13H,2-3,5-6,8-11,17H2
InChIKeyVCZFTIDOACHBGP-UHFFFAOYSA-N
XLogP2.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.66
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-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane
CID 112613659
3-fluoro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 104831301
[3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
CID 65158689
2-[3-[2-(bromomethyl)-6-methylphenoxy]propyl]oxolane
CID 112614116
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]oxolane
CID 112613634
[3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol
CID 112612609
2-[3-[2-(bromomethyl)-6-chlorophenoxy]propyl]oxolane
CID 112613783
2-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60905797
2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154
[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine
CID 112607668
2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine
CID 112615272
2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 81269052

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine (CID 112615284) is 2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine is NCCc1cccc(F)c1OCCCC1CCCO1.
What is the InChIKey of 2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine?
The InChIKey is VCZFTIDOACHBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c16-14-7-1-4-12(8-9-17)15(14)19-11-3-6-13-5-2-10-18-13/h1,4,7,13H,2-3,5-6,8-11,17H2.
What are the key properties of 2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine?
2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine has a molecular weight of 267.34 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine is sourced from PubChem (CID 112615284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).