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

C17H20FNO — CID 79167760

IUPACN-[1-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(Oc2ccccc2F)c1
InChIInChI=1S/C17H20FNO/c1-3-11-19-13(2)14-7-6-8-15(12-14)20-17-10-5-4-9-16(17)18/h4-10,12-13,19H,3,11H2,1-2H3
InChIKeyIUOKEVMCBMPYGT-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.68
Rot. Bonds6

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

N-[1-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine (PubChem CID 79167760) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[1-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
PubChem CID79167760
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[1-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(Oc2ccccc2F)c1
InChIInChI=1S/C17H20FNO/c1-3-11-19-13(2)14-7-6-8-15(12-14)20-17-10-5-4-9-16(17)18/h4-10,12-13,19H,3,11H2,1-2H3
InChIKeyIUOKEVMCBMPYGT-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-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285398
N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285404
N-[1-[3-(5-bromo-2-methylphenoxy)phenyl]ethyl]propan-1-amine
CID 107284781
N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285606
N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine
CID 79168443
N-[1-[3-(4-bromo-2-chlorophenoxy)phenyl]ethyl]propan-1-amine
CID 79166444
1-[3-(4-bromo-2-fluorophenoxy)phenyl]-N-ethylethanamine
CID 79167955
N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine
CID 62389853
N-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine
CID 79167101
N-[1-[3-fluoro-4-(4-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43285920
1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine
CID 79167388
2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol
CID 114491732

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine (CID 79167760) is N-[1-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1cccc(Oc2ccccc2F)c1.
What is the InChIKey of N-[1-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is IUOKEVMCBMPYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-11-19-13(2)14-7-6-8-15(12-14)20-17-10-5-4-9-16(17)18/h4-10,12-13,19H,3,11H2,1-2H3.
What are the key properties of N-[1-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine?
N-[1-[3-(2-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-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 79167760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).