2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine

C19H24ClN — CID 64990147

IUPAC2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1)c1cc(C)c(C)cc1C
InChIInChI=1S/C19H24ClN/c1-5-21-19(12-16-6-8-17(20)9-7-16)18-11-14(3)13(2)10-15(18)4/h6-11,19,21H,5,12H2,1-4H3
InChIKeySPBASJUPBHPZEF-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.16
Rot. Bonds5

About 2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine

2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 64990147) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID64990147
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1)c1cc(C)c(C)cc1C
InChIInChI=1S/C19H24ClN/c1-5-21-19(12-16-6-8-17(20)9-7-16)18-11-14(3)13(2)10-15(18)4/h6-11,19,21H,5,12H2,1-4H3
InChIKeySPBASJUPBHPZEF-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 82883080
2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412865
2-(4-chlorophenyl)-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43626354
N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990255
2-(4-chlorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
CID 43493168
1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 63412910
2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 63527053
2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 62964463
2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol
CID 64989886
2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990001
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 107891773
1-(2-chloro-4,5-dimethylphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115483837

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine (CID 64990147) is 2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine is CCNC(Cc1ccc(Cl)cc1)c1cc(C)c(C)cc1C.
What is the InChIKey of 2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is SPBASJUPBHPZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-5-21-19(12-16-6-8-17(20)9-7-16)18-11-14(3)13(2)10-15(18)4/h6-11,19,21H,5,12H2,1-4H3.
What are the key properties of 2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine?
2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 301.86 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 64990147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).