N-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine

C14H22FNO — CID 112633052

IUPACN-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine
SMILESCCOCC(C)NC(CC)c1ccccc1F
InChIInChI=1S/C14H22FNO/c1-4-14(16-11(3)10-17-5-2)12-8-6-7-9-13(12)15/h6-9,11,14,16H,4-5,10H2,1-3H3
InChIKeyUERFPJIYATWWTC-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.29
Rot. Bonds7

About N-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine

N-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine (PubChem CID 112633052) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine
PubChem CID112633052
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine
SMILESCCOCC(C)NC(CC)c1ccccc1F
InChIInChI=1S/C14H22FNO/c1-4-14(16-11(3)10-17-5-2)12-8-6-7-9-13(12)15/h6-9,11,14,16H,4-5,10H2,1-3H3
InChIKeyUERFPJIYATWWTC-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994193
1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine
CID 113493164
2-[1-(1-methoxypropan-2-ylamino)propyl]phenol
CID 43191890
1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 112631437
3-[1-(2-fluorophenyl)propylamino]-4-methylpentan-1-ol
CID 103948533
1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine
CID 103271705
1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
CID 103949479
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81380238
(2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol
CID 103948350
1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 112632384

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine (CID 112633052) is N-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine is CCOCC(C)NC(CC)c1ccccc1F.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is UERFPJIYATWWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-14(16-11(3)10-17-5-2)12-8-6-7-9-13(12)15/h6-9,11,14,16H,4-5,10H2,1-3H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine?
N-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 112633052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).