N-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine

C17H19F2NO — CID 43285523

IUPACN-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(F)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C17H19F2NO/c1-3-10-20-12(2)16-11-14(19)6-9-17(16)21-15-7-4-13(18)5-8-15/h4-9,11-12,20H,3,10H2,1-2H3
InChIKeyGYXLWBOLEYLSIJ-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.82
Rot. Bonds6

About N-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine

N-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine (PubChem CID 43285523) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
PubChem CID43285523
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(F)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C17H19F2NO/c1-3-10-20-12(2)16-11-14(19)6-9-17(16)21-15-7-4-13(18)5-8-15/h4-9,11-12,20H,3,10H2,1-2H3
InChIKeyGYXLWBOLEYLSIJ-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285515
N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285606
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
N-[1-(2-cyclopentyloxy-5-fluorophenyl)ethyl]propan-1-amine
CID 43284936
3-[[4-fluoro-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol
CID 114492212
N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 63066757
N-ethyl-1-[5-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801803
N-[1-[2-(4-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43285908
N-[1-[2-(difluoromethoxy)-4-fluorophenyl]ethyl]propan-1-amine
CID 63064638
N-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285398
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
1-[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]-N-methylethanamine
CID 107169524

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine (CID 43285523) is N-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1cc(F)ccc1Oc1ccc(F)cc1.
What is the InChIKey of N-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is GYXLWBOLEYLSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-10-20-12(2)16-11-14(19)6-9-17(16)21-15-7-4-13(18)5-8-15/h4-9,11-12,20H,3,10H2,1-2H3.
What are the key properties of N-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine?
N-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 291.34 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43285523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).