N-[2-ethoxy-2-(4-fluorophenyl)ethyl]propan-2-amine

C13H20FNO — CID 62106031

IUPACN-[2-ethoxy-2-(4-fluorophenyl)ethyl]propan-2-amine
SMILESCCOC(CNC(C)C)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-4-16-13(9-15-10(2)3)11-5-7-12(14)8-6-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyWUFYUIVRFPFZJQ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.90
Rot. Bonds6

About N-[2-ethoxy-2-(4-fluorophenyl)ethyl]propan-2-amine

N-[2-ethoxy-2-(4-fluorophenyl)ethyl]propan-2-amine (PubChem CID 62106031) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[2-ethoxy-2-(4-fluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-ethoxy-2-(4-fluorophenyl)ethyl]propan-2-amine
PubChem CID62106031
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-[2-ethoxy-2-(4-fluorophenyl)ethyl]propan-2-amine
SMILESCCOC(CNC(C)C)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-4-16-13(9-15-10(2)3)11-5-7-12(14)8-6-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyWUFYUIVRFPFZJQ-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-ethoxy-2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 62108347
N-[2-(4-fluorophenyl)-2-phenylmethoxyethyl]propan-2-amine
CID 62108079
N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine
CID 62108612
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine
CID 62106160
N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine
CID 55036236
N-[2-(4-methylphenyl)-2-(4,4,4-trifluorobutoxy)ethyl]propan-2-amine
CID 82783070
N-[2-phenyl-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108300
N-[2-(4-methoxyphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine
CID 82962987
N-[2-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 62110751
N-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine
CID 62106452
2-(4-fluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine
CID 58458351

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-2-(4-fluorophenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-ethoxy-2-(4-fluorophenyl)ethyl]propan-2-amine (CID 62106031) is N-[2-ethoxy-2-(4-fluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-ethoxy-2-(4-fluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-ethoxy-2-(4-fluorophenyl)ethyl]propan-2-amine is CCOC(CNC(C)C)c1ccc(F)cc1.
What is the InChIKey of N-[2-ethoxy-2-(4-fluorophenyl)ethyl]propan-2-amine?
The InChIKey is WUFYUIVRFPFZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-16-13(9-15-10(2)3)11-5-7-12(14)8-6-11/h5-8,10,13,15H,4,9H2,1-3H3.
What are the key properties of N-[2-ethoxy-2-(4-fluorophenyl)ethyl]propan-2-amine?
N-[2-ethoxy-2-(4-fluorophenyl)ethyl]propan-2-amine has a molecular weight of 225.31 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-2-(4-fluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 62106031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).