N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine

C17H20FNO — CID 43285606

IUPACN-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1Oc1cccc(F)c1
InChIInChI=1S/C17H20FNO/c1-3-11-19-13(2)16-9-4-5-10-17(16)20-15-8-6-7-14(18)12-15/h4-10,12-13,19H,3,11H2,1-2H3
InChIKeyAPRSKAUZNQULPO-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.68
Rot. Bonds6

About N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine

N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine (PubChem CID 43285606) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine
PubChem CID43285606
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1Oc1cccc(F)c1
InChIInChI=1S/C17H20FNO/c1-3-11-19-13(2)16-9-4-5-10-17(16)20-15-8-6-7-14(18)12-15/h4-10,12-13,19H,3,11H2,1-2H3
InChIKeyAPRSKAUZNQULPO-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.68
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-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285523
N-[1-[2-(4-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43285908
N-[1-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 79167760
N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 63066757
N-[1-[2-(5-bromo-2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 114673781
1-[4-bromo-2-(3-fluorophenoxy)phenyl]-N-ethylethanamine
CID 82975645
N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283339
N-[1-[2-(1-methylpyrazol-4-yl)oxyphenyl]ethyl]propan-1-amine
CID 116792890
N-[1-[2-(difluoromethoxy)-4-fluorophenyl]ethyl]propan-1-amine
CID 63064638
N-[1-(4-bromo-2-phenoxyphenyl)ethyl]propan-1-amine
CID 82975716
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine (CID 43285606) is N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1Oc1cccc(F)c1.
What is the InChIKey of N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is APRSKAUZNQULPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-11-19-13(2)16-9-4-5-10-17(16)20-15-8-6-7-14(18)12-15/h4-10,12-13,19H,3,11H2,1-2H3.
What are the key properties of N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine?
N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43285606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).