1-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine

C16H17Cl2N — CID 115796964

IUPAC1-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H17Cl2N/c1-10-7-11(2)9-12(8-10)16(19-3)15-13(17)5-4-6-14(15)18/h4-9,16,19H,1-3H3
InChIKeyNTWUSQBUVUWRGB-UHFFFAOYSA-N
MW294.22 g/mol
LogP4.92
Rot. Bonds3

About 1-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine

1-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 115796964) has the molecular formula C16H17Cl2N and a molecular weight of 294.22 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
PubChem CID115796964
Molecular FormulaC16H17Cl2N
Molecular Weight294.22 g/mol
Exact Mass293.07
IUPAC Name1-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H17Cl2N/c1-10-7-11(2)9-12(8-10)16(19-3)15-13(17)5-4-6-14(15)18/h4-9,16,19H,1-3H3
InChIKeyNTWUSQBUVUWRGB-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43486543
1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018696
1-(2,4-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 63502416
N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796556
1-(2,6-dichlorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115794941
1-(2,6-dichlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019039
1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115797356
1-(2-chloro-6-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 79747635
1-(2,6-dichlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 43483343
1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130127
1-(2-chloro-5-fluorophenyl)-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 105397291
N-methyl-1-(3-methylphenyl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43482466

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine (CID 115796964) is 1-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(C)cc(C)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is NTWUSQBUVUWRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-10-7-11(2)9-12(8-10)16(19-3)15-13(17)5-4-6-14(15)18/h4-9,16,19H,1-3H3.
What are the key properties of 1-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
1-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 294.22 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115796964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).