1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine

C16H17Cl2NO — CID 115952133

IUPAC1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(C)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-11-4-3-5-13(9-19-2)16(11)20-10-12-6-7-14(17)15(18)8-12/h3-8,19H,9-10H2,1-2H3
InChIKeyRERDZIYIOPLODO-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.60
Rot. Bonds5

About 1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine

1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine (PubChem CID 115952133) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
PubChem CID115952133
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(C)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-11-4-3-5-13(9-19-2)16(11)20-10-12-6-7-14(17)15(18)8-12/h3-8,19H,9-10H2,1-2H3
InChIKeyRERDZIYIOPLODO-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952132
1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 112608310
N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 112608398
3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol
CID 112608572
2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid
CID 63463861
1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952135
5-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]-2-fluorobenzonitrile
CID 107879775
1-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952218
1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 112608449
1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 114345835
2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
CID 112608438
1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608649

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine (CID 115952133) is 1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine is CNCc1cccc(C)c1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine?
The InChIKey is RERDZIYIOPLODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-11-4-3-5-13(9-19-2)16(11)20-10-12-6-7-14(17)15(18)8-12/h3-8,19H,9-10H2,1-2H3.
What are the key properties of 1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine?
1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine has a molecular weight of 310.22 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 115952133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).