1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine

C14H11Cl4N — CID 43486543

IUPAC1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl4N/c1-19-14(8-5-6-9(15)12(18)7-8)13-10(16)3-2-4-11(13)17/h2-7,14,19H,1H3
InChIKeyAYXOXHYZSHOXAV-UHFFFAOYSA-N
MW335.06 g/mol
LogP5.61
Rot. Bonds3

About 1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine

1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine (PubChem CID 43486543) has the molecular formula C14H11Cl4N and a molecular weight of 335.06 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
PubChem CID43486543
Molecular FormulaC14H11Cl4N
Molecular Weight335.06 g/mol
Exact Mass332.96
IUPAC Name1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl4N/c1-19-14(8-5-6-9(15)12(18)7-8)13-10(16)3-2-4-11(13)17/h2-7,14,19H,1H3
InChIKeyAYXOXHYZSHOXAV-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.06
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492874
1-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115796964
1-(3-bromophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43486480
1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018696
1-(2,6-dichlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 43483343
1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 43486537
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696
1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82814658
1-(2,6-dichlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019039
1-(2-chloro-5-fluorophenyl)-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 105397291
1-(2-chloro-6-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 79747635
1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130127

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine (CID 43486543) is 1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine is CNC(c1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine?
The InChIKey is AYXOXHYZSHOXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl4N/c1-19-14(8-5-6-9(15)12(18)7-8)13-10(16)3-2-4-11(13)17/h2-7,14,19H,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine?
1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine has a molecular weight of 335.06 g/mol, XLogP of 5.61, 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-(3,4-dichlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43486543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).