1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine

C18H22ClN — CID 66157503

IUPAC1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C18H22ClN/c1-11-8-12(2)14(4)18(13(11)3)17-7-6-16(19)9-15(17)10-20-5/h6-9,20H,10H2,1-5H3
InChIKeyVTMZRLINUMYXNH-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.96
Rot. Bonds3

About 1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine

1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine (PubChem CID 66157503) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine
PubChem CID66157503
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C18H22ClN/c1-11-8-12(2)14(4)18(13(11)3)17-7-6-16(19)9-15(17)10-20-5/h6-9,20H,10H2,1-5H3
InChIKeyVTMZRLINUMYXNH-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 66159508
1-[5-chloro-2-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
CID 115503182
1-[5-chloro-2-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine
CID 66156509
1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine
CID 107476910
1-[5-chloro-2-(1-ethyl-3-methylpyrazol-4-yl)phenyl]-N-methylmethanamine
CID 66155915
1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine
CID 66158721
1-[5-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-methylmethanamine
CID 66160906
4-chloro-2-(methylaminomethyl)aniline
CID 21064005
N-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 106879368
1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
CID 66159705
1-[2-(4-bromothiophen-3-yl)-5-chlorophenyl]-N-methylmethanamine
CID 79601651
4-chloro-2-methyl-6-(methylaminomethyl)phenol
CID 115978288

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine (CID 66157503) is 1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1-c1c(C)c(C)cc(C)c1C.
What is the InChIKey of 1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine?
The InChIKey is VTMZRLINUMYXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-11-8-12(2)14(4)18(13(11)3)17-7-6-16(19)9-15(17)10-20-5/h6-9,20H,10H2,1-5H3.
What are the key properties of 1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine has a molecular weight of 287.83 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 66157503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).