1-[2-(2-bromo-4-methoxyphenoxy)-6-chlorophenyl]-N-methylmethanamine

C15H15BrClNO2 — CID 104708094

IUPAC1-[2-(2-bromo-4-methoxyphenoxy)-6-chlorophenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1Oc1ccc(OC)cc1Br
InChIInChI=1S/C15H15BrClNO2/c1-18-9-11-13(17)4-3-5-14(11)20-15-7-6-10(19-2)8-12(15)16/h3-8,18H,9H2,1-2H3
InChIKeyMDSCXHNAENFPPB-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.62
Rot. Bonds5

About 1-[2-(2-bromo-4-methoxyphenoxy)-6-chlorophenyl]-N-methylmethanamine

1-[2-(2-bromo-4-methoxyphenoxy)-6-chlorophenyl]-N-methylmethanamine (PubChem CID 104708094) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-methoxyphenoxy)-6-chlorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-bromo-4-methoxyphenoxy)-6-chlorophenyl]-N-methylmethanamine
PubChem CID104708094
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC Name1-[2-(2-bromo-4-methoxyphenoxy)-6-chlorophenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1Oc1ccc(OC)cc1Br
InChIInChI=1S/C15H15BrClNO2/c1-18-9-11-13(17)4-3-5-14(11)20-15-7-6-10(19-2)8-12(15)16/h3-8,18H,9H2,1-2H3
InChIKeyMDSCXHNAENFPPB-UHFFFAOYSA-N
XLogP4.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine
CID 63552208
[2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine
CID 114880011
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707422
1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine
CID 43479857
2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene
CID 104708026
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2,5-difluoroaniline
CID 107609933
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene
CID 28946983
1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine
CID 104707855
2-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methoxybenzene-1,2-diamine
CID 103291752
1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 78957726
1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol
CID 104707975

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-methoxyphenoxy)-6-chlorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-bromo-4-methoxyphenoxy)-6-chlorophenyl]-N-methylmethanamine (CID 104708094) is 1-[2-(2-bromo-4-methoxyphenoxy)-6-chlorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-bromo-4-methoxyphenoxy)-6-chlorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-bromo-4-methoxyphenoxy)-6-chlorophenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1Oc1ccc(OC)cc1Br.
What is the InChIKey of 1-[2-(2-bromo-4-methoxyphenoxy)-6-chlorophenyl]-N-methylmethanamine?
The InChIKey is MDSCXHNAENFPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c1-18-9-11-13(17)4-3-5-14(11)20-15-7-6-10(19-2)8-12(15)16/h3-8,18H,9H2,1-2H3.
What are the key properties of 1-[2-(2-bromo-4-methoxyphenoxy)-6-chlorophenyl]-N-methylmethanamine?
1-[2-(2-bromo-4-methoxyphenoxy)-6-chlorophenyl]-N-methylmethanamine has a molecular weight of 356.65 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4-methoxyphenoxy)-6-chlorophenyl]-N-methylmethanamine is sourced from PubChem (CID 104708094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).