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

C13H10Cl3NO — CID 55193760

IUPAC[5-chloro-2-(2,4-dichlorophenoxy)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3NO/c14-9-1-3-12(8(5-9)7-17)18-13-4-2-10(15)6-11(13)16/h1-6H,7,17H2
InChIKeyUDZZGZUQRALTCQ-UHFFFAOYSA-N
MW302.59 g/mol
LogP4.90
Rot. Bonds3

About [5-chloro-2-(2,4-dichlorophenoxy)phenyl]methanamine

[5-chloro-2-(2,4-dichlorophenoxy)phenyl]methanamine (PubChem CID 55193760) has the molecular formula C13H10Cl3NO and a molecular weight of 302.59 g/mol. Its IUPAC name is [5-chloro-2-(2,4-dichlorophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(2,4-dichlorophenoxy)phenyl]methanamine
PubChem CID55193760
Molecular FormulaC13H10Cl3NO
Molecular Weight302.59 g/mol
Exact Mass300.98
IUPAC Name[5-chloro-2-(2,4-dichlorophenoxy)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3NO/c14-9-1-3-12(8(5-9)7-17)18-13-4-2-10(15)6-11(13)16/h1-6H,7,17H2
InChIKeyUDZZGZUQRALTCQ-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

1-(2-(4-Chlorophenoxy)-5-fluorophenyl)-N-methylmethanamine
CID 9965169
((2-(4-Chloro-3-fluorophenoxy)-5-fluorophenyl)methyl)(methyl)amine
CID 9965610
N-(3,5-dichloro-2-ethoxybenzyl)-3-ethoxy-1-propanamine hydrochloride
CID 2979775
2-Chloro-6-phenoxybenzylamine
CID 2777206
3-Chloro-4-(1-methylethoxy)benzenemethanamine
CID 12224369
1-[2-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine
CID 25033519
1-(2-(4-chlorophenoxy)phenyl)-N-methylmethanamine
CID 43282996
1-[2-(2,4-dichlorophenoxy)phenyl]-N-methylmethanamine
CID 43283283
1-[2-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine
CID 43283415
4-(2,4-Dichlorophenoxy)-3-(methylaminomethyl)benzonitrile
CID 44455653
1-[2-(4-chloro-2-fluorophenoxy)phenyl]-N-methylmethanamine
CID 44455707
1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 44455710

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2,4-dichlorophenoxy)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(2,4-dichlorophenoxy)phenyl]methanamine (CID 55193760) is [5-chloro-2-(2,4-dichlorophenoxy)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(2,4-dichlorophenoxy)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(2,4-dichlorophenoxy)phenyl]methanamine is NCc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of [5-chloro-2-(2,4-dichlorophenoxy)phenyl]methanamine?
The InChIKey is UDZZGZUQRALTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NO/c14-9-1-3-12(8(5-9)7-17)18-13-4-2-10(15)6-11(13)16/h1-6H,7,17H2.
What are the key properties of [5-chloro-2-(2,4-dichlorophenoxy)phenyl]methanamine?
[5-chloro-2-(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 [5-chloro-2-(2,4-dichlorophenoxy)phenyl]methanamine is sourced from PubChem (CID 55193760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).