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

C18H22ClN — CID 115483803

IUPAC1-(2-chloro-4,5-dimethylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccccc1C(NC)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C18H22ClN/c1-5-14-8-6-7-9-15(14)18(20-4)16-10-12(2)13(3)11-17(16)19/h6-11,18,20H,5H2,1-4H3
InChIKeyIYJDTYRXVRDTNC-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.83
Rot. Bonds4

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

1-(2-chloro-4,5-dimethylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine (PubChem CID 115483803) 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-ethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
PubChem CID115483803
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(2-chloro-4,5-dimethylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccccc1C(NC)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C18H22ClN/c1-5-14-8-6-7-9-15(14)18(20-4)16-10-12(2)13(3)11-17(16)19/h6-11,18,20H,5H2,1-4H3
InChIKeyIYJDTYRXVRDTNC-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[bromo-(2-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 115484808
1-(5-chloro-4-methylthiophen-2-yl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 102763744
1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105022752
1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115483934
1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 107515485
1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 115483965
1-(2-ethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105006641
1-(2-ethylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103435165
N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine
CID 115484059
1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113319429
N-[(2-chloro-4,5-dimethylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115484214
1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016630

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine (CID 115483803) is 1-(2-chloro-4,5-dimethylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-4,5-dimethylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-4,5-dimethylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine is CCc1ccccc1C(NC)c1cc(C)c(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,5-dimethylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine?
The InChIKey is IYJDTYRXVRDTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-5-14-8-6-7-9-15(14)18(20-4)16-10-12(2)13(3)11-17(16)19/h6-11,18,20H,5H2,1-4H3.
What are the key properties of 1-(2-chloro-4,5-dimethylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine?
1-(2-chloro-4,5-dimethylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine has a molecular weight of 287.83 g/mol, XLogP of 4.83, 4 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-ethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115483803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).