butyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium

C18H32NO+ — CID 2581375

IUPACbutyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium
SMILESCCCC[NH+](C)CCCOc1cc(C)ccc1C(C)C
InChIInChI=1S/C18H31NO/c1-6-7-11-19(5)12-8-13-20-18-14-16(4)9-10-17(18)15(2)3/h9-10,14-15H,6-8,11-13H2,1-5H3/p+1
InChIKeySAZOBPUGCFQXGS-UHFFFAOYSA-O
MW278.46 g/mol
LogP3.20
Rot. Bonds9

About butyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium

butyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium (PubChem CID 2581375) has the molecular formula C18H32NO+ and a molecular weight of 278.46 g/mol. Its IUPAC name is butyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium.

Molecular Properties

Compound Namebutyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium
PubChem CID2581375
Molecular FormulaC18H32NO+
Molecular Weight278.46 g/mol
Exact Mass278.25
IUPAC Namebutyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium
SMILESCCCC[NH+](C)CCCOc1cc(C)ccc1C(C)C
InChIInChI=1S/C18H31NO/c1-6-7-11-19(5)12-8-13-20-18-14-16(4)9-10-17(18)15(2)3/h9-10,14-15H,6-8,11-13H2,1-5H3/p+1
InChIKeySAZOBPUGCFQXGS-UHFFFAOYSA-O
XLogP3.20
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze butyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]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

(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629
4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
CID 43118963
(1R)-1-(2-butoxy-4-methylphenyl)ethanol
CID 63650593
(1R)-1-(4-methyl-2-nonoxyphenyl)ethanol
CID 78947128
3-(5-methyl-2-propan-2-ylphenoxy)-N,N-dipropylpropan-1-amine;oxalic acid
CID 2934936
(1R)-1-(4-methyl-2-propoxyphenyl)ethanol
CID 63650759
3-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine
CID 4136006
2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine
CID 5262022
2-methyl-2-(methylamino)-5-(5-methyl-2-propan-2-ylphenoxy)pentan-1-ol
CID 64803488
(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine
CID 104647105
N'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
CID 4213436
3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 63506069

Frequently Asked Questions

What is the IUPAC name of butyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium?
The IUPAC name of butyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium (CID 2581375) is butyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium.
What is the SMILES notation for butyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium?
The canonical SMILES for butyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium is CCCC[NH+](C)CCCOc1cc(C)ccc1C(C)C.
What is the InChIKey of butyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium?
The InChIKey is SAZOBPUGCFQXGS-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H31NO/c1-6-7-11-19(5)12-8-13-20-18-14-16(4)9-10-17(18)15(2)3/h9-10,14-15H,6-8,11-13H2,1-5H3/p+1.
What are the key properties of butyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium?
butyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium has a molecular weight of 278.46 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium is sourced from PubChem (CID 2581375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).