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

C10H15Cl2NO — CID 3053391

IUPAC2-(4-chlorophenoxy)-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)(CN)Oc1ccc(Cl)cc1.Cl
InChIInChI=1S/C10H14ClNO.ClH/c1-10(2,7-12)13-9-5-3-8(11)4-6-9;/h3-6H,7,12H2,1-2H3;1H
InChIKeyKUTOHMBPIOYKII-UHFFFAOYSA-N
MW236.14 g/mol
LogP2.88
Rot. Bonds3

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

2-(4-chlorophenoxy)-2-methylpropan-1-amine;hydrochloride (PubChem CID 3053391) has the molecular formula C10H15Cl2NO and a molecular weight of 236.14 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methylpropan-1-amine;hydrochloride
PubChem CID3053391
Molecular FormulaC10H15Cl2NO
Molecular Weight236.14 g/mol
Exact Mass235.05
IUPAC Name2-(4-chlorophenoxy)-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)(CN)Oc1ccc(Cl)cc1.Cl
InChIInChI=1S/C10H14ClNO.ClH/c1-10(2,7-12)13-9-5-3-8(11)4-6-9;/h3-6H,7,12H2,1-2H3;1H
InChIKeyKUTOHMBPIOYKII-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methylpropan-1-amine;hydrochloride?
The IUPAC name of 2-(4-chlorophenoxy)-2-methylpropan-1-amine;hydrochloride (CID 3053391) is 2-(4-chlorophenoxy)-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methylpropan-1-amine;hydrochloride is CC(C)(CN)Oc1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methylpropan-1-amine;hydrochloride?
The InChIKey is KUTOHMBPIOYKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO.ClH/c1-10(2,7-12)13-9-5-3-8(11)4-6-9;/h3-6H,7,12H2,1-2H3;1H.
What are the key properties of 2-(4-chlorophenoxy)-2-methylpropan-1-amine;hydrochloride?
2-(4-chlorophenoxy)-2-methylpropan-1-amine;hydrochloride has a molecular weight of 236.14 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 3053391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).