1-(2,4-dichlorophenyl)propan-2-amine;hydrochloride

C9H12Cl3N — CID 3041174

IUPAC1-(2,4-dichlorophenyl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C9H11Cl2N.ClH/c1-6(12)4-7-2-3-8(10)5-9(7)11;/h2-3,5-6H,4,12H2,1H3;1H
InChIKeyAKJPCNJDEGZQSV-UHFFFAOYSA-N
MW240.56 g/mol
LogP3.30
Rot. Bonds2

About 1-(2,4-dichlorophenyl)propan-2-amine;hydrochloride

1-(2,4-dichlorophenyl)propan-2-amine;hydrochloride (PubChem CID 3041174) has the molecular formula C9H12Cl3N and a molecular weight of 240.56 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)propan-2-amine;hydrochloride
PubChem CID3041174
Molecular FormulaC9H12Cl3N
Molecular Weight240.56 g/mol
Exact Mass239.00
IUPAC Name1-(2,4-dichlorophenyl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C9H11Cl2N.ClH/c1-6(12)4-7-2-3-8(10)5-9(7)11;/h2-3,5-6H,4,12H2,1H3;1H
InChIKeyAKJPCNJDEGZQSV-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.56
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(2,4-dichlorophenyl)propan-2-amine;hydrochloride (CID 3041174) is 1-(2,4-dichlorophenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2,4-dichlorophenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(2,4-dichlorophenyl)propan-2-amine;hydrochloride is CC(N)Cc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)propan-2-amine;hydrochloride?
The InChIKey is AKJPCNJDEGZQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N.ClH/c1-6(12)4-7-2-3-8(10)5-9(7)11;/h2-3,5-6H,4,12H2,1H3;1H.
What are the key properties of 1-(2,4-dichlorophenyl)propan-2-amine;hydrochloride?
1-(2,4-dichlorophenyl)propan-2-amine;hydrochloride has a molecular weight of 240.56 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 3041174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).