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

C15H15Cl2NO — CID 81160082

IUPAC2-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine
SMILESCc1ccc(Cl)cc1Oc1ccc(CCN)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-10-2-4-12(16)9-15(10)19-14-5-3-11(6-7-18)8-13(14)17/h2-5,8-9H,6-7,18H2,1H3
InChIKeyPFORVHVCEFYUQY-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.60
Rot. Bonds4

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

2-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine (PubChem CID 81160082) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine
PubChem CID81160082
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine
SMILESCc1ccc(Cl)cc1Oc1ccc(CCN)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-10-2-4-12(16)9-15(10)19-14-5-3-11(6-7-18)8-13(14)17/h2-5,8-9H,6-7,18H2,1H3
InChIKeyPFORVHVCEFYUQY-UHFFFAOYSA-N
XLogP4.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine (CID 81160082) is 2-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine is Cc1ccc(Cl)cc1Oc1ccc(CCN)cc1Cl.
What is the InChIKey of 2-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine?
The InChIKey is PFORVHVCEFYUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-10-2-4-12(16)9-15(10)19-14-5-3-11(6-7-18)8-13(14)17/h2-5,8-9H,6-7,18H2,1H3.
What are the key properties of 2-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine?
2-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine has a molecular weight of 296.20 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 81160082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).