1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine

C14H12Cl3NO — CID 63552208

IUPAC1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl3NO/c1-18-8-10-11(15)3-2-4-14(10)19-9-5-6-12(16)13(17)7-9/h2-7,18H,8H2,1H3
InChIKeyCRPJEZDPSALDTM-UHFFFAOYSA-N
MW316.62 g/mol
LogP5.16
Rot. Bonds4

About 1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine

1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine (PubChem CID 63552208) has the molecular formula C14H12Cl3NO and a molecular weight of 316.62 g/mol. Its IUPAC name is 1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine
PubChem CID63552208
Molecular FormulaC14H12Cl3NO
Molecular Weight316.62 g/mol
Exact Mass315.00
IUPAC Name1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl3NO/c1-18-8-10-11(15)3-2-4-14(10)19-9-5-6-12(16)13(17)7-9/h2-7,18H,8H2,1H3
InChIKeyCRPJEZDPSALDTM-UHFFFAOYSA-N
XLogP5.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.62
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-6-(3,4-dichlorophenoxy)phenyl]methanamine
CID 63458744
1-[2-(2-bromo-4-methoxyphenoxy)-6-chlorophenyl]-N-methylmethanamine
CID 104708094
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine
CID 43479857
1-[4-(3,4-dichlorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 63551292
1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 78957726
1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81250238
1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine
CID 114318854
1-[2-chloro-6-(3-phenoxypropoxy)phenyl]-N-methylmethanamine
CID 114318831
1-[2-(3,4-dichlorophenoxy)-5-methylsulfanylphenyl]-N-methylmethanamine
CID 10131454
N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63552561
N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride
CID 126796280

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine (CID 63552208) is 1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine?
The InChIKey is CRPJEZDPSALDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO/c1-18-8-10-11(15)3-2-4-14(10)19-9-5-6-12(16)13(17)7-9/h2-7,18H,8H2,1H3.
What are the key properties of 1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine?
1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine has a molecular weight of 316.62 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 63552208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).