dimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]azanium

C17H30NO+ — CID 2182202

IUPACdimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]azanium
SMILESCCC(C)(C)c1ccc(OCCCC[NH+](C)C)cc1
InChIInChI=1S/C17H29NO/c1-6-17(2,3)15-9-11-16(12-10-15)19-14-8-7-13-18(4)5/h9-12H,6-8,13-14H2,1-5H3/p+1
InChIKeyBVXSRPSLBIETJS-UHFFFAOYSA-O
MW264.43 g/mol
LogP2.68
Rot. Bonds8

About dimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]azanium

dimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]azanium (PubChem CID 2182202) has the molecular formula C17H30NO+ and a molecular weight of 264.43 g/mol. Its IUPAC name is dimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]azanium.

Molecular Properties

Compound Namedimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]azanium
PubChem CID2182202
Molecular FormulaC17H30NO+
Molecular Weight264.43 g/mol
Exact Mass264.23
IUPAC Namedimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]azanium
SMILESCCC(C)(C)c1ccc(OCCCC[NH+](C)C)cc1
InChIInChI=1S/C17H29NO/c1-6-17(2,3)15-9-11-16(12-10-15)19-14-8-7-13-18(4)5/h9-12H,6-8,13-14H2,1-5H3/p+1
InChIKeyBVXSRPSLBIETJS-UHFFFAOYSA-O
XLogP2.68
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]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

1-(6-bromohexoxy)-4-(2-methylbutan-2-yl)benzene
CID 154085988
N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine
CID 2182203
5-[4-(2-methylbutan-2-yl)phenoxy]pentanenitrile
CID 60673565
5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine
CID 63498583
3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylpropan-1-amine
CID 29015611
[4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22684437
4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]benzonitrile
CID 20986224
2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine
CID 28749749
2-[2-[2-[2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 71322665
3-(aminomethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]hexan-3-ol
CID 106811541
dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride
CID 118296277
2-methyl-5-[3-[4-(2-methylbutan-2-yl)phenoxy]propoxy]aniline
CID 82097183

Frequently Asked Questions

What is the IUPAC name of dimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]azanium?
The IUPAC name of dimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]azanium (CID 2182202) is dimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]azanium.
What is the SMILES notation for dimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]azanium?
The canonical SMILES for dimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]azanium is CCC(C)(C)c1ccc(OCCCC[NH+](C)C)cc1.
What is the InChIKey of dimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]azanium?
The InChIKey is BVXSRPSLBIETJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H29NO/c1-6-17(2,3)15-9-11-16(12-10-15)19-14-8-7-13-18(4)5/h9-12H,6-8,13-14H2,1-5H3/p+1.
What are the key properties of dimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]azanium?
dimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]azanium has a molecular weight of 264.43 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]azanium is sourced from PubChem (CID 2182202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).