1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine

C17H19Cl2NO — CID 63499730

IUPAC1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine
SMILESCNC(C)c1cc(C)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-11-7-8-17(13(9-11)12(2)20-3)21-10-14-15(18)5-4-6-16(14)19/h4-9,12,20H,10H2,1-3H3
InChIKeyNNLNTNWARLQVJQ-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.16
Rot. Bonds5

About 1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine

1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine (PubChem CID 63499730) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine
PubChem CID63499730
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine
SMILESCNC(C)c1cc(C)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-11-7-8-17(13(9-11)12(2)20-3)21-10-14-15(18)5-4-6-16(14)19/h4-9,12,20H,10H2,1-3H3
InChIKeyNNLNTNWARLQVJQ-UHFFFAOYSA-N
XLogP5.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine
CID 106861750
N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine
CID 43505072
N-methyl-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 43505122
N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 43505135
N-methyl-1-[5-methyl-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880374
1-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 107305892
2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile
CID 60889997
N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine
CID 62103815
4-[[4-methyl-2-[1-(methylamino)ethyl]phenoxy]methyl]benzonitrile
CID 60889996
N-methyl-1-[5-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487231
(1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63485360
N-methyl-1-[5-methyl-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine
CID 60870572

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine?
The IUPAC name of 1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine (CID 63499730) is 1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine is CNC(C)c1cc(C)ccc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine?
The InChIKey is NNLNTNWARLQVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-11-7-8-17(13(9-11)12(2)20-3)21-10-14-15(18)5-4-6-16(14)19/h4-9,12,20H,10H2,1-3H3.
What are the key properties of 1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine?
1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine has a molecular weight of 324.25 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine is sourced from PubChem (CID 63499730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).