4-chloro-N-[1-(2,3-dimethylphenyl)ethyl]-N-ethyl-3-methylaniline

C19H24ClN — CID 130280203

IUPAC4-chloro-N-[1-(2,3-dimethylphenyl)ethyl]-N-ethyl-3-methylaniline
SMILESCCN(c1ccc(Cl)c(C)c1)C(C)c1cccc(C)c1C
InChIInChI=1S/C19H24ClN/c1-6-21(17-10-11-19(20)14(3)12-17)16(5)18-9-7-8-13(2)15(18)4/h7-12,16H,6H2,1-5H3
InChIKeyADBUGXUYYGTJRD-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.85
Rot. Bonds4

About 4-chloro-N-[1-(2,3-dimethylphenyl)ethyl]-N-ethyl-3-methylaniline

4-chloro-N-[1-(2,3-dimethylphenyl)ethyl]-N-ethyl-3-methylaniline (PubChem CID 130280203) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 4-chloro-N-[1-(2,3-dimethylphenyl)ethyl]-N-ethyl-3-methylaniline.

Molecular Properties

Compound Name4-chloro-N-[1-(2,3-dimethylphenyl)ethyl]-N-ethyl-3-methylaniline
PubChem CID130280203
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name4-chloro-N-[1-(2,3-dimethylphenyl)ethyl]-N-ethyl-3-methylaniline
SMILESCCN(c1ccc(Cl)c(C)c1)C(C)c1cccc(C)c1C
InChIInChI=1S/C19H24ClN/c1-6-21(17-10-11-19(20)14(3)12-17)16(5)18-9-7-8-13(2)15(18)4/h7-12,16H,6H2,1-5H3
InChIKeyADBUGXUYYGTJRD-UHFFFAOYSA-N
XLogP5.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2,3-dimethylphenyl)ethyl]-N-ethyl-3-methylaniline?
The IUPAC name of 4-chloro-N-[1-(2,3-dimethylphenyl)ethyl]-N-ethyl-3-methylaniline (CID 130280203) is 4-chloro-N-[1-(2,3-dimethylphenyl)ethyl]-N-ethyl-3-methylaniline.
What is the SMILES notation for 4-chloro-N-[1-(2,3-dimethylphenyl)ethyl]-N-ethyl-3-methylaniline?
The canonical SMILES for 4-chloro-N-[1-(2,3-dimethylphenyl)ethyl]-N-ethyl-3-methylaniline is CCN(c1ccc(Cl)c(C)c1)C(C)c1cccc(C)c1C.
What is the InChIKey of 4-chloro-N-[1-(2,3-dimethylphenyl)ethyl]-N-ethyl-3-methylaniline?
The InChIKey is ADBUGXUYYGTJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-6-21(17-10-11-19(20)14(3)12-17)16(5)18-9-7-8-13(2)15(18)4/h7-12,16H,6H2,1-5H3.
What are the key properties of 4-chloro-N-[1-(2,3-dimethylphenyl)ethyl]-N-ethyl-3-methylaniline?
4-chloro-N-[1-(2,3-dimethylphenyl)ethyl]-N-ethyl-3-methylaniline has a molecular weight of 301.86 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2,3-dimethylphenyl)ethyl]-N-ethyl-3-methylaniline is sourced from PubChem (CID 130280203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).