2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine

C18H22ClN — CID 106867137

IUPAC2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine
SMILESCCc1ccccc1C(Cc1ccc(C)cc1Cl)NC
InChIInChI=1S/C18H22ClN/c1-4-14-7-5-6-8-16(14)18(20-3)12-15-10-9-13(2)11-17(15)19/h5-11,18,20H,4,12H2,1-3H3
InChIKeyPBQZXFBYDZTWNT-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.71
Rot. Bonds5

About 2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine

2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine (PubChem CID 106867137) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine
PubChem CID106867137
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine
SMILESCCc1ccccc1C(Cc1ccc(C)cc1Cl)NC
InChIInChI=1S/C18H22ClN/c1-4-14-7-5-6-8-16(14)18(20-3)12-15-10-9-13(2)11-17(15)19/h5-11,18,20H,4,12H2,1-3H3
InChIKeyPBQZXFBYDZTWNT-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105038060
2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine
CID 106867306
2-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 106867237
2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 102622705
2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 112655632
2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947153
2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106866140
N-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 106866272
2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 106866146
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 106866868
1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 106862733
2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106858929

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine (CID 106867137) is 2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine is CCc1ccccc1C(Cc1ccc(C)cc1Cl)NC.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine?
The InChIKey is PBQZXFBYDZTWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-4-14-7-5-6-8-16(14)18(20-3)12-15-10-9-13(2)11-17(15)19/h5-11,18,20H,4,12H2,1-3H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine?
2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine has a molecular weight of 287.83 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine is sourced from PubChem (CID 106867137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).