1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride

C11H17ClFNO — CID 86262538

IUPAC1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride
SMILESCC(C)C(N)COc1cccc(F)c1.Cl
InChIInChI=1S/C11H16FNO.ClH/c1-8(2)11(13)7-14-10-5-3-4-9(12)6-10;/h3-6,8,11H,7,13H2,1-2H3;1H
InChIKeyFNFCUXAZANDQFX-UHFFFAOYSA-N
MW233.71 g/mol
LogP2.61
Rot. Bonds4

About 1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride

1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride (PubChem CID 86262538) has the molecular formula C11H17ClFNO and a molecular weight of 233.71 g/mol. Its IUPAC name is 1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride
PubChem CID86262538
Molecular FormulaC11H17ClFNO
Molecular Weight233.71 g/mol
Exact Mass233.10
IUPAC Name1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride
SMILESCC(C)C(N)COc1cccc(F)c1.Cl
InChIInChI=1S/C11H16FNO.ClH/c1-8(2)11(13)7-14-10-5-3-4-9(12)6-10;/h3-6,8,11H,7,13H2,1-2H3;1H
InChIKeyFNFCUXAZANDQFX-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.71
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262539
1-(3,4-difluorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262544
(2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine
CID 96818001
1-(3-fluorophenoxy)propan-2-ylhydrazine
CID 82280988
1-(3,4-difluorophenoxy)-3-methylbutan-2-amine
CID 86262545
1-[2-(bromomethyl)-3-methylbutoxy]-3-fluorobenzene
CID 65012281
1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine
CID 115905482
3-(3-fluorophenoxy)-2-methoxypropan-1-amine
CID 105452028
2-[(3-fluorophenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 65015281
1-amino-3-(3-fluorophenoxy)propan-2-ol
CID 16784461
(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine
CID 39109844
(2S)-1-(3-ethoxyphenoxy)propan-2-amine
CID 79002236

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride?
The IUPAC name of 1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride (CID 86262538) is 1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride.
What is the SMILES notation for 1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride?
The canonical SMILES for 1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride is CC(C)C(N)COc1cccc(F)c1.Cl.
What is the InChIKey of 1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride?
The InChIKey is FNFCUXAZANDQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO.ClH/c1-8(2)11(13)7-14-10-5-3-4-9(12)6-10;/h3-6,8,11H,7,13H2,1-2H3;1H.
What are the key properties of 1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride?
1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride has a molecular weight of 233.71 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride is sourced from PubChem (CID 86262538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).