1-(3,4-dichlorophenyl)propan-2-amine

C9H11Cl2N — CID 17535

IUPAC1-(3,4-dichlorophenyl)propan-2-amine
SMILESCC(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2N/c1-6(12)4-7-2-3-8(10)9(11)5-7/h2-3,5-6H,4,12H2,1H3
InChIKeyPUFDZMUCDFIRQY-UHFFFAOYSA-N
MW204.10 g/mol
LogP2.88
Rot. Bonds2

About 1-(3,4-dichlorophenyl)propan-2-amine

1-(3,4-dichlorophenyl)propan-2-amine (PubChem CID 17535) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)propan-2-amine
PubChem CID17535
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name1-(3,4-dichlorophenyl)propan-2-amine
SMILESCC(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2N/c1-6(12)4-7-2-3-8(10)9(11)5-7/h2-3,5-6H,4,12H2,1H3
InChIKeyPUFDZMUCDFIRQY-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)propan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)propan-2-amine (CID 17535) is 1-(3,4-dichlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)propan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)propan-2-amine is CC(N)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)propan-2-amine?
The InChIKey is PUFDZMUCDFIRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N/c1-6(12)4-7-2-3-8(10)9(11)5-7/h2-3,5-6H,4,12H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)propan-2-amine?
1-(3,4-dichlorophenyl)propan-2-amine has a molecular weight of 204.10 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)propan-2-amine is sourced from PubChem (CID 17535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).