benzyl-dimethyl-[2-(3-methylanilino)ethyl]azanium

C18H25N2+ — CID 23460342

IUPACbenzyl-dimethyl-[2-(3-methylanilino)ethyl]azanium
SMILESCc1cccc(NCC[N+](C)(C)Cc2ccccc2)c1
InChIInChI=1S/C18H25N2/c1-16-8-7-11-18(14-16)19-12-13-20(2,3)15-17-9-5-4-6-10-17/h4-11,14,19H,12-13,15H2,1-3H3/q+1
InChIKeyJNGAVRNWYHYMEV-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.68
Rot. Bonds6

About benzyl-dimethyl-[2-(3-methylanilino)ethyl]azanium

benzyl-dimethyl-[2-(3-methylanilino)ethyl]azanium (PubChem CID 23460342) has the molecular formula C18H25N2+ and a molecular weight of 269.41 g/mol. Its IUPAC name is benzyl-dimethyl-[2-(3-methylanilino)ethyl]azanium.

Molecular Properties

Compound Namebenzyl-dimethyl-[2-(3-methylanilino)ethyl]azanium
PubChem CID23460342
Molecular FormulaC18H25N2+
Molecular Weight269.41 g/mol
Exact Mass269.20
IUPAC Namebenzyl-dimethyl-[2-(3-methylanilino)ethyl]azanium
SMILESCc1cccc(NCC[N+](C)(C)Cc2ccccc2)c1
InChIInChI=1S/C18H25N2/c1-16-8-7-11-18(14-16)19-12-13-20(2,3)15-17-9-5-4-6-10-17/h4-11,14,19H,12-13,15H2,1-3H3/q+1
InChIKeyJNGAVRNWYHYMEV-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze benzyl-dimethyl-[2-(3-methylanilino)ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-anilinoethyl-dimethyl-[(4-methylphenyl)methyl]azanium
CID 23460203
N-[3-(3-methylphenyl)propyl]aniline
CID 62365007
N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 54806214
N-[2-[3-(3-methylanilino)propylamino]ethyl]-N'-(3-methylphenyl)propane-1,3-diamine
CID 56650104
N'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 54806140
N-[2-(4-fluorophenyl)ethyl]-3-methylaniline
CID 57041855
N-butyl-3-methylaniline;phenol
CID 18006904
N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline
CID 54763230
3-methyl-N-[(3-phenoxyphenyl)methyl]aniline
CID 86024884
3-chloro-N-[2-(3-methylphenyl)ethyl]aniline
CID 68835949
N-benzyl-N-ethyl-3-(3-methylanilino)propanamide
CID 109022921
2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112915689

Frequently Asked Questions

What is the IUPAC name of benzyl-dimethyl-[2-(3-methylanilino)ethyl]azanium?
The IUPAC name of benzyl-dimethyl-[2-(3-methylanilino)ethyl]azanium (CID 23460342) is benzyl-dimethyl-[2-(3-methylanilino)ethyl]azanium.
What is the SMILES notation for benzyl-dimethyl-[2-(3-methylanilino)ethyl]azanium?
The canonical SMILES for benzyl-dimethyl-[2-(3-methylanilino)ethyl]azanium is Cc1cccc(NCC[N+](C)(C)Cc2ccccc2)c1.
What is the InChIKey of benzyl-dimethyl-[2-(3-methylanilino)ethyl]azanium?
The InChIKey is JNGAVRNWYHYMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N2/c1-16-8-7-11-18(14-16)19-12-13-20(2,3)15-17-9-5-4-6-10-17/h4-11,14,19H,12-13,15H2,1-3H3/q+1.
What are the key properties of benzyl-dimethyl-[2-(3-methylanilino)ethyl]azanium?
benzyl-dimethyl-[2-(3-methylanilino)ethyl]azanium has a molecular weight of 269.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-[2-(3-methylanilino)ethyl]azanium is sourced from PubChem (CID 23460342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).