2-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride

C10H15ClFN — CID 50988072

IUPAC2-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)(CN)c1ccc(F)cc1.Cl
InChIInChI=1S/C10H14FN.ClH/c1-10(2,7-12)8-3-5-9(11)6-4-8;/h3-6H,7,12H2,1-2H3;1H
InChIKeyQWZDJUSXNORQHQ-UHFFFAOYSA-N
MW203.69 g/mol
LogP2.48
Rot. Bonds2

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

2-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride (PubChem CID 50988072) has the molecular formula C10H15ClFN and a molecular weight of 203.69 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
PubChem CID50988072
Molecular FormulaC10H15ClFN
Molecular Weight203.69 g/mol
Exact Mass203.09
IUPAC Name2-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)(CN)c1ccc(F)cc1.Cl
InChIInChI=1S/C10H14FN.ClH/c1-10(2,7-12)8-3-5-9(11)6-4-8;/h3-6H,7,12H2,1-2H3;1H
InChIKeyQWZDJUSXNORQHQ-UHFFFAOYSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride?
The IUPAC name of 2-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride (CID 50988072) is 2-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride is CC(C)(CN)c1ccc(F)cc1.Cl.
What is the InChIKey of 2-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride?
The InChIKey is QWZDJUSXNORQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN.ClH/c1-10(2,7-12)8-3-5-9(11)6-4-8;/h3-6H,7,12H2,1-2H3;1H.
What are the key properties of 2-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride?
2-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride has a molecular weight of 203.69 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 50988072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).