[4-(2,3-dichlorophenoxy)phenyl]methanamine

C13H11Cl2NO — CID 28965515

IUPAC[4-(2,3-dichlorophenoxy)phenyl]methanamine
SMILESNCc1ccc(Oc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C13H11Cl2NO/c14-11-2-1-3-12(13(11)15)17-10-6-4-9(8-16)5-7-10/h1-7H,8,16H2
InChIKeyHWHMEGUWURTJBZ-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.24
Rot. Bonds3

About [4-(2,3-dichlorophenoxy)phenyl]methanamine

[4-(2,3-dichlorophenoxy)phenyl]methanamine (PubChem CID 28965515) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is [4-(2,3-dichlorophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2,3-dichlorophenoxy)phenyl]methanamine
PubChem CID28965515
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name[4-(2,3-dichlorophenoxy)phenyl]methanamine
SMILESNCc1ccc(Oc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C13H11Cl2NO/c14-11-2-1-3-12(13(11)15)17-10-6-4-9(8-16)5-7-10/h1-7H,8,16H2
InChIKeyHWHMEGUWURTJBZ-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 76320939
CID 76320939
CID 43531176
CID 43531176
CID 738038
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CID 12224367
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CID 54579953
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CID 55193760
CID 55193760
CID 57656537
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CID 63087694
CID 63087694

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichlorophenoxy)phenyl]methanamine?
The IUPAC name of [4-(2,3-dichlorophenoxy)phenyl]methanamine (CID 28965515) is [4-(2,3-dichlorophenoxy)phenyl]methanamine.
What is the SMILES notation for [4-(2,3-dichlorophenoxy)phenyl]methanamine?
The canonical SMILES for [4-(2,3-dichlorophenoxy)phenyl]methanamine is NCc1ccc(Oc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of [4-(2,3-dichlorophenoxy)phenyl]methanamine?
The InChIKey is HWHMEGUWURTJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c14-11-2-1-3-12(13(11)15)17-10-6-4-9(8-16)5-7-10/h1-7H,8,16H2.
What are the key properties of [4-(2,3-dichlorophenoxy)phenyl]methanamine?
[4-(2,3-dichlorophenoxy)phenyl]methanamine has a molecular weight of 268.14 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dichlorophenoxy)phenyl]methanamine is sourced from PubChem (CID 28965515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).