1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane

C10H15Cl2N — CID 142839804

IUPAC1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
SMILESCC.CNCc1c(Cl)cccc1Cl
InChIInChI=1S/C8H9Cl2N.C2H6/c1-11-5-6-7(9)3-2-4-8(6)10;1-2/h2-4,11H,5H2,1H3;1-2H3
InChIKeyYCNTYSNPQHIBNA-UHFFFAOYSA-N
MW220.14 g/mol
LogP3.74
Rot. Bonds2

About 1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane

1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane (PubChem CID 142839804) has the molecular formula C10H15Cl2N and a molecular weight of 220.14 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
PubChem CID142839804
Molecular FormulaC10H15Cl2N
Molecular Weight220.14 g/mol
Exact Mass219.06
IUPAC Name1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
SMILESCC.CNCc1c(Cl)cccc1Cl
InChIInChI=1S/C8H9Cl2N.C2H6/c1-11-5-6-7(9)3-2-4-8(6)10;1-2/h2-4,11H,5H2,1H3;1-2H3
InChIKeyYCNTYSNPQHIBNA-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82678213
1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 78957726
1-[2-chloro-6-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine
CID 63809725
3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline
CID 43571403
1-[2-chloro-6-(2-iodophenoxy)phenyl]-N-methylmethanamine
CID 43479857
1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine
CID 114318854
1-(2-butylsulfanyl-6-chlorophenyl)-N-methylmethanamine
CID 63809779
1-[2-chloro-6-(3,4-dichlorophenoxy)phenyl]-N-methylmethanamine
CID 63552208
1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 43280415
1-(6-chloro-2,3-dimethylphenyl)-N-methylmethanamine
CID 84659371
3-[3-chloro-2-(methylaminomethyl)phenoxy]butan-2-ol
CID 114318725
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)aniline
CID 60893128

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane (CID 142839804) is 1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane is CC.CNCc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane?
The InChIKey is YCNTYSNPQHIBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N.C2H6/c1-11-5-6-7(9)3-2-4-8(6)10;1-2/h2-4,11H,5H2,1H3;1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane?
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane has a molecular weight of 220.14 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane is sourced from PubChem (CID 142839804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).