2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine

C18H22ClN — CID 63412120

IUPAC2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H22ClN/c1-4-20-18(12-15-6-5-7-17(19)11-15)16-9-8-13(2)14(3)10-16/h5-11,18,20H,4,12H2,1-3H3
InChIKeyOOHCNDGUDSIZCF-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.85
Rot. Bonds5

About 2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine

2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine (PubChem CID 63412120) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
PubChem CID63412120
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H22ClN/c1-4-20-18(12-15-6-5-7-17(19)11-15)16-9-8-13(2)14(3)10-16/h5-11,18,20H,4,12H2,1-3H3
InChIKeyOOHCNDGUDSIZCF-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 63412084
2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63415582
N-[1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63526752
2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503819
1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 79747608
2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
CID 63508658
2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 107891438
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 43487935
1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 55224707
2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63416877
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414289
2-(3-chlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 79693343

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine (CID 63412120) is 2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine is CCNC(Cc1cccc(Cl)c1)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine?
The InChIKey is OOHCNDGUDSIZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-4-20-18(12-15-6-5-7-17(19)11-15)16-9-8-13(2)14(3)10-16/h5-11,18,20H,4,12H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine?
2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine has a molecular weight of 287.83 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine is sourced from PubChem (CID 63412120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).