[4-[[ethyl(methyl)amino]methyl]phenyl]methyl-trimethylazanium

C14H25N2+ — CID 22889878

IUPAC[4-[[ethyl(methyl)amino]methyl]phenyl]methyl-trimethylazanium
SMILESCCN(C)Cc1ccc(C[N+](C)(C)C)cc1
InChIInChI=1S/C14H25N2/c1-6-15(2)11-13-7-9-14(10-8-13)12-16(3,4)5/h7-10H,6,11-12H2,1-5H3/q+1
InChIKeyJENOSBVTBXQDEY-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.34
Rot. Bonds5

About [4-[[ethyl(methyl)amino]methyl]phenyl]methyl-trimethylazanium

[4-[[ethyl(methyl)amino]methyl]phenyl]methyl-trimethylazanium (PubChem CID 22889878) has the molecular formula C14H25N2+ and a molecular weight of 221.37 g/mol. Its IUPAC name is [4-[[ethyl(methyl)amino]methyl]phenyl]methyl-trimethylazanium.

Molecular Properties

Compound Name[4-[[ethyl(methyl)amino]methyl]phenyl]methyl-trimethylazanium
PubChem CID22889878
Molecular FormulaC14H25N2+
Molecular Weight221.37 g/mol
Exact Mass221.20
IUPAC Name[4-[[ethyl(methyl)amino]methyl]phenyl]methyl-trimethylazanium
SMILESCCN(C)Cc1ccc(C[N+](C)(C)C)cc1
InChIInChI=1S/C14H25N2/c1-6-15(2)11-13-7-9-14(10-8-13)12-16(3,4)5/h7-10H,6,11-12H2,1-5H3/q+1
InChIKeyJENOSBVTBXQDEY-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine
CID 58518810
4-[[ethyl(methyl)amino]methyl]benzonitrile
CID 43247494
N-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane
CID 159486837
[4-[[ethyl(methyl)amino]methyl]phenyl]-methylphosphinic acid
CID 143297095
N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865
4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 43263456
(4-chlorophenyl)methyl-trimethylazanium bromide
CID 14157089
N-ethyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 155750962
bicyclo[2.2.0]hexa-1,3,5-triene;4-[[ethyl(methyl)amino]methyl]benzoic acid;hydrochloride
CID 70353921
N-ethyl-N,N'-dimethyl-N'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]ethane-1,2-diamine
CID 170041941
2-[4-[[ethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine
CID 105346793
N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N-methylethanamine
CID 141366767

Frequently Asked Questions

What is the IUPAC name of [4-[[ethyl(methyl)amino]methyl]phenyl]methyl-trimethylazanium?
The IUPAC name of [4-[[ethyl(methyl)amino]methyl]phenyl]methyl-trimethylazanium (CID 22889878) is [4-[[ethyl(methyl)amino]methyl]phenyl]methyl-trimethylazanium.
What is the SMILES notation for [4-[[ethyl(methyl)amino]methyl]phenyl]methyl-trimethylazanium?
The canonical SMILES for [4-[[ethyl(methyl)amino]methyl]phenyl]methyl-trimethylazanium is CCN(C)Cc1ccc(C[N+](C)(C)C)cc1.
What is the InChIKey of [4-[[ethyl(methyl)amino]methyl]phenyl]methyl-trimethylazanium?
The InChIKey is JENOSBVTBXQDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N2/c1-6-15(2)11-13-7-9-14(10-8-13)12-16(3,4)5/h7-10H,6,11-12H2,1-5H3/q+1.
What are the key properties of [4-[[ethyl(methyl)amino]methyl]phenyl]methyl-trimethylazanium?
[4-[[ethyl(methyl)amino]methyl]phenyl]methyl-trimethylazanium has a molecular weight of 221.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[ethyl(methyl)amino]methyl]phenyl]methyl-trimethylazanium is sourced from PubChem (CID 22889878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).