2-(N-benzylanilino)ethyl-dimethylazanium chloride

C17H23ClN2 — CID 16288

IUPAC2-(N-benzylanilino)ethyl-dimethylazanium chloride
SMILESC[NH+](C)CCN(Cc1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C17H22N2.ClH/c1-18(2)13-14-19(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16;/h3-12H,13-15H2,1-2H3;1H
InChIKeyAJCNOWKYMZKMFV-UHFFFAOYSA-N
MW290.84 g/mol
LogP-1.16
Rot. Bonds6

About 2-(N-benzylanilino)ethyl-dimethylazanium chloride

2-(N-benzylanilino)ethyl-dimethylazanium chloride (PubChem CID 16288) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 2-(N-benzylanilino)ethyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-(N-benzylanilino)ethyl-dimethylazanium chloride
PubChem CID16288
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name2-(N-benzylanilino)ethyl-dimethylazanium chloride
SMILESC[NH+](C)CCN(Cc1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C17H22N2.ClH/c1-18(2)13-14-19(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16;/h3-12H,13-15H2,1-2H3;1H
InChIKeyAJCNOWKYMZKMFV-UHFFFAOYSA-N
XLogP-1.16
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 2995
Antazoline
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CID 7567
Antazoline Hydrochloride
CID 17275
Desipramine Hydrochloride
CID 65327
Bamipine
CID 72075
1-(3-(Trifluoromethyl)phenyl)piperazine
CID 4296
N-ethyl-3-methylaniline
CID 7603
2-Amino-5-(diethylamino)toluene
CID 67364
N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623
N-1-Naphthylethylenediamine dihydrochloride
CID 15106

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzylanilino)ethyl-dimethylazanium chloride?
The IUPAC name of 2-(N-benzylanilino)ethyl-dimethylazanium chloride (CID 16288) is 2-(N-benzylanilino)ethyl-dimethylazanium chloride.
What is the SMILES notation for 2-(N-benzylanilino)ethyl-dimethylazanium chloride?
The canonical SMILES for 2-(N-benzylanilino)ethyl-dimethylazanium chloride is C[NH+](C)CCN(Cc1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of 2-(N-benzylanilino)ethyl-dimethylazanium chloride?
The InChIKey is AJCNOWKYMZKMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2.ClH/c1-18(2)13-14-19(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16;/h3-12H,13-15H2,1-2H3;1H.
What are the key properties of 2-(N-benzylanilino)ethyl-dimethylazanium chloride?
2-(N-benzylanilino)ethyl-dimethylazanium chloride has a molecular weight of 290.84 g/mol, XLogP of -1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzylanilino)ethyl-dimethylazanium chloride is sourced from PubChem (CID 16288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).