N-(2,3-dimethylphenyl)-N-ethyl-2,3-dimethylaniline;hydrochloride

C18H24ClN — CID 174691436

IUPACN-(2,3-dimethylphenyl)-N-ethyl-2,3-dimethylaniline;hydrochloride
SMILESCCN(c1cccc(C)c1C)c1cccc(C)c1C.Cl
InChIInChI=1S/C18H23N.ClH/c1-6-19(17-11-7-9-13(2)15(17)4)18-12-8-10-14(3)16(18)5;/h7-12H,6H2,1-5H3;1H
InChIKeyJGSYSBKIRHMSKF-UHFFFAOYSA-N
MW289.85 g/mol
LogP5.50
Rot. Bonds3

About N-(2,3-dimethylphenyl)-N-ethyl-2,3-dimethylaniline;hydrochloride

N-(2,3-dimethylphenyl)-N-ethyl-2,3-dimethylaniline;hydrochloride (PubChem CID 174691436) has the molecular formula C18H24ClN and a molecular weight of 289.85 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N-ethyl-2,3-dimethylaniline;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N-ethyl-2,3-dimethylaniline;hydrochloride
PubChem CID174691436
Molecular FormulaC18H24ClN
Molecular Weight289.85 g/mol
Exact Mass289.16
IUPAC NameN-(2,3-dimethylphenyl)-N-ethyl-2,3-dimethylaniline;hydrochloride
SMILESCCN(c1cccc(C)c1C)c1cccc(C)c1C.Cl
InChIInChI=1S/C18H23N.ClH/c1-6-19(17-11-7-9-13(2)15(17)4)18-12-8-10-14(3)16(18)5;/h7-12H,6H2,1-5H3;1H
InChIKeyJGSYSBKIRHMSKF-UHFFFAOYSA-N
XLogP5.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.85
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N-ethyl-2,3-dimethylaniline;hydrochloride?
The IUPAC name of N-(2,3-dimethylphenyl)-N-ethyl-2,3-dimethylaniline;hydrochloride (CID 174691436) is N-(2,3-dimethylphenyl)-N-ethyl-2,3-dimethylaniline;hydrochloride.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N-ethyl-2,3-dimethylaniline;hydrochloride?
The canonical SMILES for N-(2,3-dimethylphenyl)-N-ethyl-2,3-dimethylaniline;hydrochloride is CCN(c1cccc(C)c1C)c1cccc(C)c1C.Cl.
What is the InChIKey of N-(2,3-dimethylphenyl)-N-ethyl-2,3-dimethylaniline;hydrochloride?
The InChIKey is JGSYSBKIRHMSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N.ClH/c1-6-19(17-11-7-9-13(2)15(17)4)18-12-8-10-14(3)16(18)5;/h7-12H,6H2,1-5H3;1H.
What are the key properties of N-(2,3-dimethylphenyl)-N-ethyl-2,3-dimethylaniline;hydrochloride?
N-(2,3-dimethylphenyl)-N-ethyl-2,3-dimethylaniline;hydrochloride has a molecular weight of 289.85 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N-ethyl-2,3-dimethylaniline;hydrochloride is sourced from PubChem (CID 174691436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).