1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine

C18H22ClN — CID 115483934

IUPAC1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(C)cc1Cl)c1cccc(C)c1C
InChIInChI=1S/C18H22ClN/c1-11-7-6-8-15(14(11)4)18(20-5)16-9-12(2)13(3)10-17(16)19/h6-10,18,20H,1-5H3
InChIKeyBOZSBOFUJZQBRW-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.88
Rot. Bonds3

About 1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine

1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine (PubChem CID 115483934) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
PubChem CID115483934
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(C)cc1Cl)c1cccc(C)c1C
InChIInChI=1S/C18H22ClN/c1-11-7-6-8-15(14(11)4)18(20-5)16-9-12(2)13(3)10-17(16)19/h6-10,18,20H,1-5H3
InChIKeyBOZSBOFUJZQBRW-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 115483965
1-(2-chloro-4-fluorophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 62946377
1-[bromo-(2,3-dimethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319692
1-(2-chloro-4,5-dimethylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 115483803
1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 107096626
1-(2-chloro-4,5-dimethylphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 115483862
1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115850587
1-(2,3-dimethylphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 62548873
1-(2,5-dibromophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 43482284
1-(2-chloro-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylmethanamine
CID 105397270
1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115850344
1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483839

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine (CID 115483934) is 1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(C)c(C)cc1Cl)c1cccc(C)c1C.
What is the InChIKey of 1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine?
The InChIKey is BOZSBOFUJZQBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-11-7-6-8-15(14(11)4)18(20-5)16-9-12(2)13(3)10-17(16)19/h6-10,18,20H,1-5H3.
What are the key properties of 1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine?
1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine has a molecular weight of 287.83 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115483934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).