[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine

C13H11Cl2NO — CID 28966120

IUPAC[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
SMILESNCc1c(Cl)cccc1Oc1ccccc1Cl
InChIInChI=1S/C13H11Cl2NO/c14-10-5-3-7-12(9(10)8-16)17-13-6-2-1-4-11(13)15/h1-7H,8,16H2
InChIKeyNJQGJVDMBHESFH-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.24
Rot. Bonds3

About [2-chloro-6-(2-chlorophenoxy)phenyl]methanamine

[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine (PubChem CID 28966120) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is [2-chloro-6-(2-chlorophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
PubChem CID28966120
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
SMILESNCc1c(Cl)cccc1Oc1ccccc1Cl
InChIInChI=1S/C13H11Cl2NO/c14-10-5-3-7-12(9(10)8-16)17-13-6-2-1-4-11(13)15/h1-7H,8,16H2
InChIKeyNJQGJVDMBHESFH-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

(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
[2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine
CID 28966226
1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene
CID 28947164
[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine
CID 28966393
N-[2-[2-(aminomethyl)-3-chlorophenoxy]phenyl]acetamide
CID 62502106
[4-(2-chlorophenoxy)phenyl]methanamine
CID 5152206
[2-chloro-6-(3,4-dichlorophenoxy)phenyl]methanamine
CID 63458744
[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
CID 28966143
2-[2-chloro-6-(2-fluorophenoxy)phenyl]ethanamine
CID 63815774
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
CID 43282972
(2-chloro-6-quinazolin-4-yloxyphenyl)methanamine
CID 114323838

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(2-chlorophenoxy)phenyl]methanamine?
The IUPAC name of [2-chloro-6-(2-chlorophenoxy)phenyl]methanamine (CID 28966120) is [2-chloro-6-(2-chlorophenoxy)phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(2-chlorophenoxy)phenyl]methanamine?
The canonical SMILES for [2-chloro-6-(2-chlorophenoxy)phenyl]methanamine is NCc1c(Cl)cccc1Oc1ccccc1Cl.
What is the InChIKey of [2-chloro-6-(2-chlorophenoxy)phenyl]methanamine?
The InChIKey is NJQGJVDMBHESFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c14-10-5-3-7-12(9(10)8-16)17-13-6-2-1-4-11(13)15/h1-7H,8,16H2.
What are the key properties of [2-chloro-6-(2-chlorophenoxy)phenyl]methanamine?
[2-chloro-6-(2-chlorophenoxy)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 [2-chloro-6-(2-chlorophenoxy)phenyl]methanamine is sourced from PubChem (CID 28966120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).