1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine

C15H15Cl2NO — CID 55222155

IUPAC1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1C
InChIInChI=1S/C15H15Cl2NO/c1-10-5-14(4-3-11(10)9-18-2)19-15-7-12(16)6-13(17)8-15/h3-8,18H,9H2,1-2H3
InChIKeyMCQDGMPEAVTXFD-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.81
Rot. Bonds4

About 1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine

1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine (PubChem CID 55222155) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine
PubChem CID55222155
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1C
InChIInChI=1S/C15H15Cl2NO/c1-10-5-14(4-3-11(10)9-18-2)19-15-7-12(16)6-13(17)8-15/h3-8,18H,9H2,1-2H3
InChIKeyMCQDGMPEAVTXFD-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

N-[[4-(3,5-dichlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 63551836
1-[4-(3-chloro-4-fluorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 63879873
1-[4-(3,4-difluorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 55038504
1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine
CID 62128798
1-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]-N-methylmethanamine
CID 63552216
1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 44562943
1-[4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 107659558
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221727
N,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline
CID 62128804
1-[4-(5-chloro-2-nitrophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 62303997
1-[4-(4-chloro-2-nitrophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 62130681
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]propan-1-amine
CID 63552365

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine (CID 55222155) is 1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine is CNCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1C.
What is the InChIKey of 1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine?
The InChIKey is MCQDGMPEAVTXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-10-5-14(4-3-11(10)9-18-2)19-15-7-12(16)6-13(17)8-15/h3-8,18H,9H2,1-2H3.
What are the key properties of 1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine?
1-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-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-[4-(3,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 55222155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).