2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl-(3-methoxypropyl)azanium

C18H32NO3+ — CID 7381522

IUPAC2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl-(3-methoxypropyl)azanium
SMILESCC[C@H](C)c1ccccc1OCCOCC[NH2+]CCCOC
InChIInChI=1S/C18H31NO3/c1-4-16(2)17-8-5-6-9-18(17)22-15-14-21-13-11-19-10-7-12-20-3/h5-6,8-9,16,19H,4,7,10-15H2,1-3H3/p+1/t16-/m0/s1
InChIKeyDQYUTDCEDQZCKP-INIZCTEOSA-O
MW310.46 g/mol
LogP2.20
Rot. Bonds13

About 2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl-(3-methoxypropyl)azanium

2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl-(3-methoxypropyl)azanium (PubChem CID 7381522) has the molecular formula C18H32NO3+ and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl-(3-methoxypropyl)azanium.

Molecular Properties

Compound Name2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl-(3-methoxypropyl)azanium
PubChem CID7381522
Molecular FormulaC18H32NO3+
Molecular Weight310.46 g/mol
Exact Mass310.24
IUPAC Name2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl-(3-methoxypropyl)azanium
SMILESCC[C@H](C)c1ccccc1OCCOCC[NH2+]CCCOC
InChIInChI=1S/C18H31NO3/c1-4-16(2)17-8-5-6-9-18(17)22-15-14-21-13-11-19-10-7-12-20-3/h5-6,8-9,16,19H,4,7,10-15H2,1-3H3/p+1/t16-/m0/s1
InChIKeyDQYUTDCEDQZCKP-INIZCTEOSA-O
XLogP2.20
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl-(3-methoxypropyl)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

N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine
CID 2923118
2-[2-(2-tert-butylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
CID 2280492
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
3-[2-[(2S)-butan-2-yl]phenoxy]propyl-cyclopentylazanium
CID 2199598
(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
CID 103402915
2-(2-butan-2-ylphenoxy)ethanolate
CID 164822470
(2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
CID 7413497
1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410264
2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
CID 2297274
4-[2-[2-(2-butan-2-ylphenoxy)ethoxy]ethyl]morpholine
CID 2923927
1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole
CID 40609983
4-(2-butan-2-ylphenoxy)butan-2-amine
CID 43118978

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl-(3-methoxypropyl)azanium?
The IUPAC name of 2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl-(3-methoxypropyl)azanium (CID 7381522) is 2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl-(3-methoxypropyl)azanium.
What is the SMILES notation for 2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl-(3-methoxypropyl)azanium?
The canonical SMILES for 2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl-(3-methoxypropyl)azanium is CC[C@H](C)c1ccccc1OCCOCC[NH2+]CCCOC.
What is the InChIKey of 2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl-(3-methoxypropyl)azanium?
The InChIKey is DQYUTDCEDQZCKP-INIZCTEOSA-O. The full InChI is InChI=1S/C18H31NO3/c1-4-16(2)17-8-5-6-9-18(17)22-15-14-21-13-11-19-10-7-12-20-3/h5-6,8-9,16,19H,4,7,10-15H2,1-3H3/p+1/t16-/m0/s1.
What are the key properties of 2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl-(3-methoxypropyl)azanium?
2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl-(3-methoxypropyl)azanium has a molecular weight of 310.46 g/mol, XLogP of 2.20, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl-(3-methoxypropyl)azanium is sourced from PubChem (CID 7381522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).