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

C17H20FNO — CID 43285398

IUPACN-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Oc2ccccc2F)cc1
InChIInChI=1S/C17H20FNO/c1-3-12-19-13(2)14-8-10-15(11-9-14)20-17-7-5-4-6-16(17)18/h4-11,13,19H,3,12H2,1-2H3
InChIKeyMTRMWXVBQBEFIJ-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.68
Rot. Bonds6

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

N-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine (PubChem CID 43285398) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
PubChem CID43285398
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Oc2ccccc2F)cc1
InChIInChI=1S/C17H20FNO/c1-3-12-19-13(2)14-8-10-15(11-9-14)20-17-7-5-4-6-16(17)18/h4-11,13,19H,3,12H2,1-2H3
InChIKeyMTRMWXVBQBEFIJ-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

Analyze N-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 79167760
N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285404
N-[1-[4-(2-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43479752
N-[1-[3-fluoro-4-(4-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43285920
N-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285515
N-[1-[4-(4-ethylphenoxy)phenyl]ethyl]propan-1-amine
CID 43285379
N-[1-[2-(4-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43285908
N-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285523
N-ethyl-1-[4-(2-iodophenoxy)phenyl]ethanamine
CID 43479753
N-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 62698763
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N-[1-[3-bromo-4-(4-chlorophenoxy)phenyl]ethyl]propan-1-amine
CID 63533629

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine (CID 43285398) is N-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(Oc2ccccc2F)cc1.
What is the InChIKey of N-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is MTRMWXVBQBEFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-12-19-13(2)14-8-10-15(11-9-14)20-17-7-5-4-6-16(17)18/h4-11,13,19H,3,12H2,1-2H3.
What are the key properties of N-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine?
N-[1-[4-(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-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43285398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).