1-(4-chlorophenyl)-N-methylpropan-2-amine;hydrochloride

C10H15Cl2N — CID 45157653

IUPAC1-(4-chlorophenyl)-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C10H14ClN.ClH/c1-8(12-2)7-9-3-5-10(11)6-4-9;/h3-6,8,12H,7H2,1-2H3;1H
InChIKeyHXTOYUVXDREQSD-UHFFFAOYSA-N
MW220.14 g/mol
LogP2.91
Rot. Bonds3

About 1-(4-chlorophenyl)-N-methylpropan-2-amine;hydrochloride

1-(4-chlorophenyl)-N-methylpropan-2-amine;hydrochloride (PubChem CID 45157653) has the molecular formula C10H15Cl2N and a molecular weight of 220.14 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methylpropan-2-amine;hydrochloride
PubChem CID45157653
Molecular FormulaC10H15Cl2N
Molecular Weight220.14 g/mol
Exact Mass219.06
IUPAC Name1-(4-chlorophenyl)-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C10H14ClN.ClH/c1-8(12-2)7-9-3-5-10(11)6-4-9;/h3-6,8,12H,7H2,1-2H3;1H
InChIKeyHXTOYUVXDREQSD-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-N-methylpropan-2-amine;hydrochloride (CID 45157653) is 1-(4-chlorophenyl)-N-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-N-methylpropan-2-amine;hydrochloride is CNC(C)Cc1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-N-methylpropan-2-amine;hydrochloride?
The InChIKey is HXTOYUVXDREQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN.ClH/c1-8(12-2)7-9-3-5-10(11)6-4-9;/h3-6,8,12H,7H2,1-2H3;1H.
What are the key properties of 1-(4-chlorophenyl)-N-methylpropan-2-amine;hydrochloride?
1-(4-chlorophenyl)-N-methylpropan-2-amine;hydrochloride has a molecular weight of 220.14 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 45157653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).