1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine

C19H24ClN — CID 81315675

IUPAC1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(C)ccc1C)c1cc(C)cc(Cl)c1
InChIInChI=1S/C19H24ClN/c1-5-21-19(17-9-14(3)10-18(20)11-17)12-16-8-13(2)6-7-15(16)4/h6-11,19,21H,5,12H2,1-4H3
InChIKeyRGTXUQSEAMYSLD-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.16
Rot. Bonds5

About 1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine

1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine (PubChem CID 81315675) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
PubChem CID81315675
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(C)ccc1C)c1cc(C)cc(Cl)c1
InChIInChI=1S/C19H24ClN/c1-5-21-19(17-9-14(3)10-18(20)11-17)12-16-8-13(2)6-7-15(16)4/h6-11,19,21H,5,12H2,1-4H3
InChIKeyRGTXUQSEAMYSLD-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

2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 106867810
1-(3,5-dichlorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63526772
2-(2-chloro-3-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 105032313
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 105037683
N-[(3-chloro-5-methylphenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 81324084
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63509708
2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)-N-ethylethanamine
CID 105055557
N-[(3-chloro-4-methylphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 107562129
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115863164
2-(2,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 61481816
1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63527968
1-(3-chloro-5-methylphenyl)-N-ethyl-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009096

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine (CID 81315675) is 1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine is CCNC(Cc1cc(C)ccc1C)c1cc(C)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine?
The InChIKey is RGTXUQSEAMYSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-5-21-19(17-9-14(3)10-18(20)11-17)12-16-8-13(2)6-7-15(16)4/h6-11,19,21H,5,12H2,1-4H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine?
1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine 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 1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine is sourced from PubChem (CID 81315675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).