2-(2,6-dichlorophenyl)propan-1-amine

C9H11Cl2N — CID 13290304

IUPAC2-(2,6-dichlorophenyl)propan-1-amine
SMILESCC(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C9H11Cl2N/c1-6(5-12)9-7(10)3-2-4-8(9)11/h2-4,6H,5,12H2,1H3
InChIKeyRTJCYJHRXNHNCB-UHFFFAOYSA-N
MW204.10 g/mol
LogP3.06
Rot. Bonds2

About 2-(2,6-dichlorophenyl)propan-1-amine

2-(2,6-dichlorophenyl)propan-1-amine (PubChem CID 13290304) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)propan-1-amine
PubChem CID13290304
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name2-(2,6-dichlorophenyl)propan-1-amine
SMILESCC(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C9H11Cl2N/c1-6(5-12)9-7(10)3-2-4-8(9)11/h2-4,6H,5,12H2,1H3
InChIKeyRTJCYJHRXNHNCB-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)propan-1-amine?
The IUPAC name of 2-(2,6-dichlorophenyl)propan-1-amine (CID 13290304) is 2-(2,6-dichlorophenyl)propan-1-amine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)propan-1-amine?
The canonical SMILES for 2-(2,6-dichlorophenyl)propan-1-amine is CC(CN)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)propan-1-amine?
The InChIKey is RTJCYJHRXNHNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N/c1-6(5-12)9-7(10)3-2-4-8(9)11/h2-4,6H,5,12H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)propan-1-amine?
2-(2,6-dichlorophenyl)propan-1-amine has a molecular weight of 204.10 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)propan-1-amine is sourced from PubChem (CID 13290304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).