1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride

C11H17ClFNO — CID 67214176

IUPAC1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)COCc1ccc(F)cc1.Cl
InChIInChI=1S/C11H16FNO.ClH/c1-11(2,13)8-14-7-9-3-5-10(12)6-4-9;/h3-6H,7-8,13H2,1-2H3;1H
InChIKeyMFNZPMYVABVPRE-UHFFFAOYSA-N
MW233.71 g/mol
LogP2.50
Rot. Bonds4

About 1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride

1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride (PubChem CID 67214176) has the molecular formula C11H17ClFNO and a molecular weight of 233.71 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride
PubChem CID67214176
Molecular FormulaC11H17ClFNO
Molecular Weight233.71 g/mol
Exact Mass233.10
IUPAC Name1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)COCc1ccc(F)cc1.Cl
InChIInChI=1S/C11H16FNO.ClH/c1-11(2,13)8-14-7-9-3-5-10(12)6-4-9;/h3-6H,7-8,13H2,1-2H3;1H
InChIKeyMFNZPMYVABVPRE-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine
CID 65476413
2-methyl-1-[(4-propan-2-ylphenyl)methoxy]propan-2-amine
CID 64537588
3-[(4-fluorophenyl)methoxy]-2,2-dimethylpropanenitrile
CID 23151596
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
1-[(2,5-difluorophenyl)methoxy]-2-methylpropan-2-amine
CID 64537606
1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine
CID 64535799
2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine
CID 130536986
ethyl 4-[(2-amino-2-methylpropoxy)methyl]benzoate
CID 82353221
1-[(4-fluorophenyl)methoxy]butan-2-amine
CID 22448356
(2R)-1-[(4-fluorophenyl)methoxy]butan-2-amine
CID 95964424
1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine
CID 82354162
bicyclo[3.1.1]hepta-1(6),2,4-triene;3-[(4-fluorophenyl)methoxy]-2,2-dimethylpropanal
CID 88660908

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride (CID 67214176) is 1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride is CC(C)(N)COCc1ccc(F)cc1.Cl.
What is the InChIKey of 1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is MFNZPMYVABVPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO.ClH/c1-11(2,13)8-14-7-9-3-5-10(12)6-4-9;/h3-6H,7-8,13H2,1-2H3;1H.
What are the key properties of 1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride?
1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 233.71 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methoxy]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 67214176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).