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

C17H19Cl2NO — CID 114862724

IUPAC1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine
SMILESCc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1CC(C)N
InChIInChI=1S/C17H19Cl2NO/c1-10-6-15(19)7-11(2)17(10)21-16-5-4-14(18)9-13(16)8-12(3)20/h4-7,9,12H,8,20H2,1-3H3
InChIKeyZERPXYXTRMZXCL-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.29
Rot. Bonds4

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

1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine (PubChem CID 114862724) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine
PubChem CID114862724
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine
SMILESCc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1CC(C)N
InChIInChI=1S/C17H19Cl2NO/c1-10-6-15(19)7-11(2)17(10)21-16-5-4-14(18)9-13(16)8-12(3)20/h4-7,9,12H,8,20H2,1-3H3
InChIKeyZERPXYXTRMZXCL-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

1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine
CID 114863411
1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine
CID 114863110
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 114862972
1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine
CID 60907849
1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine
CID 114862732
1-[2-(3-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine
CID 114863443
2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile
CID 60907852
1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105520
1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine
CID 82922401
5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
CID 114846926
1-[5-chloro-2-(2-methylsulfonylethoxy)phenyl]propan-2-amine
CID 54937433

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine (CID 114862724) is 1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine is Cc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1CC(C)N.
What is the InChIKey of 1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine?
The InChIKey is ZERPXYXTRMZXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-10-6-15(19)7-11(2)17(10)21-16-5-4-14(18)9-13(16)8-12(3)20/h4-7,9,12H,8,20H2,1-3H3.
What are the key properties of 1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine?
1-[5-chloro-2-(4-chloro-2,6-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-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 114862724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).