1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine

C19H24ClN — CID 82772280

IUPAC1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2c(C)cc(C)cc2C)cc1Cl
InChIInChI=1S/C19H24ClN/c1-6-21-15(5)17-8-7-16(11-18(17)20)19-13(3)9-12(2)10-14(19)4/h7-11,15,21H,6H2,1-5H3
InChIKeyISXUGINLLZTVSE-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.60
Rot. Bonds4

About 1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine

1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine (PubChem CID 82772280) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine
PubChem CID82772280
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2c(C)cc(C)cc2C)cc1Cl
InChIInChI=1S/C19H24ClN/c1-6-21-15(5)17-8-7-16(11-18(17)20)19-13(3)9-12(2)10-14(19)4/h7-11,15,21H,6H2,1-5H3
InChIKeyISXUGINLLZTVSE-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-phenylphenyl)-N-ethylethanamine
CID 82782215
1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine
CID 82783028
1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 82782480
1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine
CID 82783500
N-ethyl-1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine
CID 106681143
1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine
CID 114732213
1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine
CID 81045762
5-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyridine-3-carbonitrile
CID 82782238
3-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]-5-fluorobenzonitrile
CID 82772148
1-[4-(2-chloro-4,5-dimethylphenyl)phenyl]-N-ethylethanamine
CID 115484394
N-[(2-chloro-4-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106861014
1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 115781009

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine (CID 82772280) is 1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(-c2c(C)cc(C)cc2C)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine?
The InChIKey is ISXUGINLLZTVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-6-21-15(5)17-8-7-16(11-18(17)20)19-13(3)9-12(2)10-14(19)4/h7-11,15,21H,6H2,1-5H3.
What are the key properties of 1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine?
1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine has a molecular weight of 301.86 g/mol, XLogP of 5.60, 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-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 82772280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).