[2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine

C13H10Cl3NO — CID 28966226

IUPAC[2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine
SMILESNCc1c(Cl)cccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3NO/c14-8-4-5-13(11(16)6-8)18-12-3-1-2-10(15)9(12)7-17/h1-6H,7,17H2
InChIKeyCDUFLVZWPUXNPO-UHFFFAOYSA-N
MW302.59 g/mol
LogP4.90
Rot. Bonds3

About [2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine

[2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine (PubChem CID 28966226) has the molecular formula C13H10Cl3NO and a molecular weight of 302.59 g/mol. Its IUPAC name is [2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine
PubChem CID28966226
Molecular FormulaC13H10Cl3NO
Molecular Weight302.59 g/mol
Exact Mass300.98
IUPAC Name[2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine
SMILESNCc1c(Cl)cccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3NO/c14-8-4-5-13(11(16)6-8)18-12-3-1-2-10(15)9(12)7-17/h1-6H,7,17H2
InChIKeyCDUFLVZWPUXNPO-UHFFFAOYSA-N
XLogP4.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.59
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine
CID 28966393
[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
CID 28966143
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
[2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 114848279
[2-chloro-6-(3,4-dichlorophenoxy)phenyl]methanamine
CID 63458744
[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine
CID 28966222
[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine
CID 79516224
2-amino-3-(2,4-dichlorophenoxy)benzoic acid
CID 113333260
[3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine
CID 63088683
1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene
CID 63567494
[2-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)phenyl]methanamine
CID 114417401

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine?
The IUPAC name of [2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine (CID 28966226) is [2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine?
The canonical SMILES for [2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine is NCc1c(Cl)cccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine?
The InChIKey is CDUFLVZWPUXNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NO/c14-8-4-5-13(11(16)6-8)18-12-3-1-2-10(15)9(12)7-17/h1-6H,7,17H2.
What are the key properties of [2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine?
[2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine has a molecular weight of 302.59 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine is sourced from PubChem (CID 28966226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).