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

C9H11Cl2N — CID 19797638

IUPAC3-(2,4-dichlorophenyl)propan-1-amine
SMILESNCCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2N/c10-8-4-3-7(2-1-5-12)9(11)6-8/h3-4,6H,1-2,5,12H2
InChIKeyTYLNWUPRLIORDX-UHFFFAOYSA-N
MW204.10 g/mol
LogP2.88
Rot. Bonds3

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

3-(2,4-dichlorophenyl)propan-1-amine (PubChem CID 19797638) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)propan-1-amine
PubChem CID19797638
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name3-(2,4-dichlorophenyl)propan-1-amine
SMILESNCCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2N/c10-8-4-3-7(2-1-5-12)9(11)6-8/h3-4,6H,1-2,5,12H2
InChIKeyTYLNWUPRLIORDX-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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3,4-Dichlorophenethylamine
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2-(2-Chlorophenyl)ethylamine
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3-Chlorophenethylamine
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2,4-Dichlorophenethylamine
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2,6-Dichlorophenethylamine
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2-(4-Chlorophenyl)ethylamine
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2,4-Dichlorobenzylamine
CID 1485

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)propan-1-amine?
The IUPAC name of 3-(2,4-dichlorophenyl)propan-1-amine (CID 19797638) is 3-(2,4-dichlorophenyl)propan-1-amine.
What is the SMILES notation for 3-(2,4-dichlorophenyl)propan-1-amine?
The canonical SMILES for 3-(2,4-dichlorophenyl)propan-1-amine is NCCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)propan-1-amine?
The InChIKey is TYLNWUPRLIORDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N/c10-8-4-3-7(2-1-5-12)9(11)6-8/h3-4,6H,1-2,5,12H2.
What are the key properties of 3-(2,4-dichlorophenyl)propan-1-amine?
3-(2,4-dichlorophenyl)propan-1-amine has a molecular weight of 204.10 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)propan-1-amine is sourced from PubChem (CID 19797638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).