N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine

C13H20FNO — CID 79573891

IUPACN-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-4-15-13(9-16-10(2)3)11-6-5-7-12(14)8-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyIWLGUKRTADISSI-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.90
Rot. Bonds6

About N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine

N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine (PubChem CID 79573891) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine
PubChem CID79573891
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)c1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-4-15-13(9-16-10(2)3)11-6-5-7-12(14)8-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyIWLGUKRTADISSI-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

1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79574237
N-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine
CID 105188000
1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79575549
1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013094
1-(2,5-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79575096
N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093897
N-ethyl-2-propan-2-yloxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 105013108
4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine
CID 105092697
1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013124
N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644081
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine
CID 62607725
N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79575629

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine (CID 79573891) is N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine is CCNC(COC(C)C)c1cccc(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine?
The InChIKey is IWLGUKRTADISSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-15-13(9-16-10(2)3)11-6-5-7-12(14)8-11/h5-8,10,13,15H,4,9H2,1-3H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine?
N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine 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-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 79573891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).