1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine

C15H15Cl2NO — CID 81154995

IUPAC1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc(Cl)cc2C)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-10-7-12(16)4-6-14(10)19-15-5-3-11(9-18-2)8-13(15)17/h3-8,18H,9H2,1-2H3
InChIKeyMZBPJHWLDVRVJB-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.81
Rot. Bonds4

About 1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine

1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine (PubChem CID 81154995) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine
PubChem CID81154995
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccc(Cl)cc2C)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-10-7-12(16)4-6-14(10)19-15-5-3-11(9-18-2)8-13(15)17/h3-8,18H,9H2,1-2H3
InChIKeyMZBPJHWLDVRVJB-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43283411
1-[3-(2,4-dichlorophenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105406792
1-[3-(5-chloro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407414
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine
CID 81155141
1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407266
N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552751
1-[4-(5-bromo-2-chlorophenoxy)-3-chlorophenyl]-N-methylmethanamine
CID 81154583
1-[4-(3,4-dichlorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 63551292
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 81160055
1-[4-chloro-2-(2,4-dimethylphenoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 126796314
1-[3-chloro-4-(2-chloro-4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 81151385
1-[3-fluoro-4-(2,4,5-trichlorophenoxy)phenyl]-N-methylmethanamine
CID 43282453

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine (CID 81154995) is 1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine is CNCc1ccc(Oc2ccc(Cl)cc2C)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine?
The InChIKey is MZBPJHWLDVRVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-10-7-12(16)4-6-14(10)19-15-5-3-11(9-18-2)8-13(15)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine?
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine has a molecular weight of 296.20 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 81154995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).