1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine

C15H15Cl2NO — CID 62910687

IUPAC1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
SMILESCc1ccc(Cl)c(Oc2ccc(C(C)N)cc2Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-9-3-5-12(16)15(7-9)19-14-6-4-11(10(2)18)8-13(14)17/h3-8,10H,18H2,1-2H3
InChIKeyDACLDONBJQCNPY-UHFFFAOYSA-N
MW296.20 g/mol
LogP5.11
Rot. Bonds3

About 1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine

1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine (PubChem CID 62910687) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
PubChem CID62910687
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
SMILESCc1ccc(Cl)c(Oc2ccc(C(C)N)cc2Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-9-3-5-12(16)15(7-9)19-14-6-4-11(10(2)18)8-13(14)17/h3-8,10H,18H2,1-2H3
InChIKeyDACLDONBJQCNPY-UHFFFAOYSA-N
XLogP5.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.20
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399
(1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
CID 63369920
(1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78944434
1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine
CID 62910856
(1R)-1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]ethanamine
CID 63533796
(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
CID 63374748
1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 55132671
(1R)-1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 63369799
(1S)-1-[3-chloro-4-(2,3,6-trimethylphenoxy)phenyl]ethanamine
CID 78944343
1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
CID 82541808
(1R)-1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]ethanol
CID 78941592
(1R)-1-[3-bromo-4-(2,4,5-trichlorophenoxy)phenyl]ethanamine
CID 78944496

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine?
The IUPAC name of 1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine (CID 62910687) is 1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine is Cc1ccc(Cl)c(Oc2ccc(C(C)N)cc2Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine?
The InChIKey is DACLDONBJQCNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-9-3-5-12(16)15(7-9)19-14-6-4-11(10(2)18)8-13(14)17/h3-8,10H,18H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine?
1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine has a molecular weight of 296.20 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 62910687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).