N-[1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethyl]propan-1-amine

C17H26FNO2 — CID 65158936

IUPACN-[1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(F)cc1OCCC1CCCO1
InChIInChI=1S/C17H26FNO2/c1-3-9-19-13(2)16-7-6-14(18)12-17(16)21-11-8-15-5-4-10-20-15/h6-7,12-13,15,19H,3-5,8-11H2,1-2H3
InChIKeyICCJJRJYSCXYTF-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.83
Rot. Bonds8

About N-[1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethyl]propan-1-amine

N-[1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethyl]propan-1-amine (PubChem CID 65158936) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethyl]propan-1-amine
PubChem CID65158936
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC NameN-[1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(F)cc1OCCC1CCCO1
InChIInChI=1S/C17H26FNO2/c1-3-9-19-13(2)16-7-6-14(18)12-17(16)21-11-8-15-5-4-10-20-15/h6-7,12-13,15,19H,3-5,8-11H2,1-2H3
InChIKeyICCJJRJYSCXYTF-UHFFFAOYSA-N
XLogP3.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158458
N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158607
N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 63066757
N-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine
CID 55192696
N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine
CID 63485327
N-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 63065346
N-[1-[2-(difluoromethoxy)-4-fluorophenyl]ethyl]propan-1-amine
CID 63064638
(1R)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81364895
(1R)-1-[4-fluoro-2-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63365868
(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81365361
5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol
CID 63066355
1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158484

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethyl]propan-1-amine (CID 65158936) is N-[1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(F)cc1OCCC1CCCO1.
What is the InChIKey of N-[1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethyl]propan-1-amine?
The InChIKey is ICCJJRJYSCXYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-3-9-19-13(2)16-7-6-14(18)12-17(16)21-11-8-15-5-4-10-20-15/h6-7,12-13,15,19H,3-5,8-11H2,1-2H3.
What are the key properties of N-[1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethyl]propan-1-amine?
N-[1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethyl]propan-1-amine has a molecular weight of 295.40 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-fluoro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 65158936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).