1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine

C11H11Cl4NO — CID 79168378

IUPAC1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(Cl)c1OCC(Cl)=CCl
InChIInChI=1S/C11H11Cl4NO/c1-16-5-7-2-8(13)3-10(15)11(7)17-6-9(14)4-12/h2-4,16H,5-6H2,1H3
InChIKeyQHJPCMNPMMIMIZ-UHFFFAOYSA-N
MW315.03 g/mol
LogP4.41
Rot. Bonds5

About 1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine

1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine (PubChem CID 79168378) has the molecular formula C11H11Cl4NO and a molecular weight of 315.03 g/mol. Its IUPAC name is 1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine
PubChem CID79168378
Molecular FormulaC11H11Cl4NO
Molecular Weight315.03 g/mol
Exact Mass312.96
IUPAC Name1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(Cl)c1OCC(Cl)=CCl
InChIInChI=1S/C11H11Cl4NO/c1-16-5-7-2-8(13)3-10(15)11(7)17-6-9(14)4-12/h2-4,16H,5-6H2,1H3
InChIKeyQHJPCMNPMMIMIZ-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.03
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol
CID 79172958
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486830
1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine
CID 65369787
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 43515683
1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine
CID 43515702
1-[3,5-dichloro-2-[2-(2-methylpropoxy)ethoxy]phenyl]-N-methylmethanamine
CID 106449933
N-[[5-chloro-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 104664949
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486646
1-[4-(2,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 79167417
1-[3,5-dichloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 63500645
3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 54879135
1-[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 63499190

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine (CID 79168378) is 1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine is CNCc1cc(Cl)cc(Cl)c1OCC(Cl)=CCl.
What is the InChIKey of 1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine?
The InChIKey is QHJPCMNPMMIMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl4NO/c1-16-5-7-2-8(13)3-10(15)11(7)17-6-9(14)4-12/h2-4,16H,5-6H2,1H3.
What are the key properties of 1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine?
1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine has a molecular weight of 315.03 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 79168378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).