1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine

C17H19Cl2NO — CID 63803488

IUPAC1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine
SMILESCc1cc(Oc2cccc(Cl)c2CC(C)N)cc(C)c1Cl
InChIInChI=1S/C17H19Cl2NO/c1-10-7-13(8-11(2)17(10)19)21-16-6-4-5-15(18)14(16)9-12(3)20/h4-8,12H,9,20H2,1-3H3
InChIKeyCPENSOUILOCVAO-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.29
Rot. Bonds4

About 1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine

1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine (PubChem CID 63803488) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine
PubChem CID63803488
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine
SMILESCc1cc(Oc2cccc(Cl)c2CC(C)N)cc(C)c1Cl
InChIInChI=1S/C17H19Cl2NO/c1-10-7-13(8-11(2)17(10)19)21-16-6-4-5-15(18)14(16)9-12(3)20/h4-8,12H,9,20H2,1-3H3
InChIKeyCPENSOUILOCVAO-UHFFFAOYSA-N
XLogP5.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
CID 63565892
1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63803663
1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine
CID 63880238
1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine
CID 63802149
1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63815753
1-[2-chloro-6-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63816825
1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine
CID 63815045
1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
CID 114321739
1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-1-amine
CID 115995621
1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine
CID 114321838
ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate
CID 114321887
2-bromo-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
CID 107725024

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine (CID 63803488) is 1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine is Cc1cc(Oc2cccc(Cl)c2CC(C)N)cc(C)c1Cl.
What is the InChIKey of 1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine?
The InChIKey is CPENSOUILOCVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-10-7-13(8-11(2)17(10)19)21-16-6-4-5-15(18)14(16)9-12(3)20/h4-8,12H,9,20H2,1-3H3.
What are the key properties of 1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine?
1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine has a molecular weight of 324.25 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63803488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).