1-(3-chlorophenyl)propan-2-amine;hydrochloride

C9H13Cl2N — CID 42943439

IUPAC1-(3-chlorophenyl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1cccc(Cl)c1.Cl
InChIInChI=1S/C9H12ClN.ClH/c1-7(11)5-8-3-2-4-9(10)6-8;/h2-4,6-7H,5,11H2,1H3;1H
InChIKeyFTQFHXURUUGDCN-UHFFFAOYSA-N
MW206.12 g/mol
LogP2.65
Rot. Bonds2

About 1-(3-chlorophenyl)propan-2-amine;hydrochloride

1-(3-chlorophenyl)propan-2-amine;hydrochloride (PubChem CID 42943439) has the molecular formula C9H13Cl2N and a molecular weight of 206.12 g/mol. Its IUPAC name is 1-(3-chlorophenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)propan-2-amine;hydrochloride
PubChem CID42943439
Molecular FormulaC9H13Cl2N
Molecular Weight206.12 g/mol
Exact Mass205.04
IUPAC Name1-(3-chlorophenyl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1cccc(Cl)c1.Cl
InChIInChI=1S/C9H12ClN.ClH/c1-7(11)5-8-3-2-4-9(10)6-8;/h2-4,6-7H,5,11H2,1H3;1H
InChIKeyFTQFHXURUUGDCN-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)propan-2-amine;hydrochloride (CID 42943439) is 1-(3-chlorophenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)propan-2-amine;hydrochloride is CC(N)Cc1cccc(Cl)c1.Cl.
What is the InChIKey of 1-(3-chlorophenyl)propan-2-amine;hydrochloride?
The InChIKey is FTQFHXURUUGDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN.ClH/c1-7(11)5-8-3-2-4-9(10)6-8;/h2-4,6-7H,5,11H2,1H3;1H.
What are the key properties of 1-(3-chlorophenyl)propan-2-amine;hydrochloride?
1-(3-chlorophenyl)propan-2-amine;hydrochloride has a molecular weight of 206.12 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 42943439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).