2-anilinoethyl-dimethyl-[(4-methylphenyl)methyl]azanium

C18H25N2+ — CID 23460203

IUPAC2-anilinoethyl-dimethyl-[(4-methylphenyl)methyl]azanium
SMILESCc1ccc(C[N+](C)(C)CCNc2ccccc2)cc1
InChIInChI=1S/C18H25N2/c1-16-9-11-17(12-10-16)15-20(2,3)14-13-19-18-7-5-4-6-8-18/h4-12,19H,13-15H2,1-3H3/q+1
InChIKeyJHUKKMKYABCJRD-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.68
Rot. Bonds6

About 2-anilinoethyl-dimethyl-[(4-methylphenyl)methyl]azanium

2-anilinoethyl-dimethyl-[(4-methylphenyl)methyl]azanium (PubChem CID 23460203) has the molecular formula C18H25N2+ and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-anilinoethyl-dimethyl-[(4-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name2-anilinoethyl-dimethyl-[(4-methylphenyl)methyl]azanium
PubChem CID23460203
Molecular FormulaC18H25N2+
Molecular Weight269.41 g/mol
Exact Mass269.20
IUPAC Name2-anilinoethyl-dimethyl-[(4-methylphenyl)methyl]azanium
SMILESCc1ccc(C[N+](C)(C)CCNc2ccccc2)cc1
InChIInChI=1S/C18H25N2/c1-16-9-11-17(12-10-16)15-20(2,3)14-13-19-18-7-5-4-6-8-18/h4-12,19H,13-15H2,1-3H3/q+1
InChIKeyJHUKKMKYABCJRD-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'}

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Related Compounds

benzyl-dimethyl-[2-(3-methylanilino)ethyl]azanium
CID 23460342
3-anilino-N-[(4-methylphenyl)methyl]propanamide
CID 109019803
benzyl-[2-[benzyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;dibromide;dihydrate
CID 139074114
benzyl-dimethyl-propylazanium;boranuide
CID 173258032
CID 155631863
CID 155631863
N-[4-(4-methylphenoxy)butyl]aniline
CID 82096490
N-propylaniline
CID 12153
N-benzyl-3-(4-methylanilino)propanamide
CID 109018805
benzyl-dimethyl-[4-(silylmethylamino)butyl]azanium
CID 123467353
N'-[4-(2,4-dimethylphenyl)phenyl]-N-phenylethane-1,2-diamine
CID 91121250
ethane;N-(2-phenylethyl)aniline
CID 91194556
disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842

Frequently Asked Questions

What is the IUPAC name of 2-anilinoethyl-dimethyl-[(4-methylphenyl)methyl]azanium?
The IUPAC name of 2-anilinoethyl-dimethyl-[(4-methylphenyl)methyl]azanium (CID 23460203) is 2-anilinoethyl-dimethyl-[(4-methylphenyl)methyl]azanium.
What is the SMILES notation for 2-anilinoethyl-dimethyl-[(4-methylphenyl)methyl]azanium?
The canonical SMILES for 2-anilinoethyl-dimethyl-[(4-methylphenyl)methyl]azanium is Cc1ccc(C[N+](C)(C)CCNc2ccccc2)cc1.
What is the InChIKey of 2-anilinoethyl-dimethyl-[(4-methylphenyl)methyl]azanium?
The InChIKey is JHUKKMKYABCJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N2/c1-16-9-11-17(12-10-16)15-20(2,3)14-13-19-18-7-5-4-6-8-18/h4-12,19H,13-15H2,1-3H3/q+1.
What are the key properties of 2-anilinoethyl-dimethyl-[(4-methylphenyl)methyl]azanium?
2-anilinoethyl-dimethyl-[(4-methylphenyl)methyl]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 2-anilinoethyl-dimethyl-[(4-methylphenyl)methyl]azanium is sourced from PubChem (CID 23460203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).