1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine

C15H24FNO — CID 114208275

IUPAC1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine
SMILESCCC(CC)COC(c1ccccc1F)C(C)N
InChIInChI=1S/C15H24FNO/c1-4-12(5-2)10-18-15(11(3)17)13-8-6-7-9-14(13)16/h6-9,11-12,15H,4-5,10,17H2,1-3H3
InChIKeyIDYDWUYPRGSQLE-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.67
Rot. Bonds7

About 1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine

1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine (PubChem CID 114208275) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine
PubChem CID114208275
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine
SMILESCCC(CC)COC(c1ccccc1F)C(C)N
InChIInChI=1S/C15H24FNO/c1-4-12(5-2)10-18-15(11(3)17)13-8-6-7-9-14(13)16/h6-9,11-12,15H,4-5,10,17H2,1-3H3
InChIKeyIDYDWUYPRGSQLE-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine
CID 82828300
1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55018505
1-(cyclohexylmethoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62383305
1-(2-fluorophenyl)-1-trimethylsilyloxypropan-2-amine
CID 112548408
1-(2-fluorophenyl)propan-1-amine
CID 18439474
1-(2,2-difluoroethoxy)-1-(2-methylphenyl)propan-2-amine
CID 82004722
1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62337853
1-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]butan-2-amine
CID 63934055
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62785959
1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine
CID 114208291
1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine
CID 66233120

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine (CID 114208275) is 1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine is CCC(CC)COC(c1ccccc1F)C(C)N.
What is the InChIKey of 1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is IDYDWUYPRGSQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-12(5-2)10-18-15(11(3)17)13-8-6-7-9-14(13)16/h6-9,11-12,15H,4-5,10,17H2,1-3H3.
What are the key properties of 1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine?
1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 114208275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).