3-[4-[(2R)-butan-2-yl]phenoxy]propyl-butylazanium

C17H30NO+ — CID 2298384

IUPAC3-[4-[(2R)-butan-2-yl]phenoxy]propyl-butylazanium
SMILESCCCC[NH2+]CCCOc1ccc([C@H](C)CC)cc1
InChIInChI=1S/C17H29NO/c1-4-6-12-18-13-7-14-19-17-10-8-16(9-11-17)15(3)5-2/h8-11,15,18H,4-7,12-14H2,1-3H3/p+1/t15-/m1/s1
InChIKeyBTHBJCZQGLIASD-OAHLLOKOSA-O
MW264.43 g/mol
LogP3.33
Rot. Bonds10

About 3-[4-[(2R)-butan-2-yl]phenoxy]propyl-butylazanium

3-[4-[(2R)-butan-2-yl]phenoxy]propyl-butylazanium (PubChem CID 2298384) has the molecular formula C17H30NO+ and a molecular weight of 264.43 g/mol. Its IUPAC name is 3-[4-[(2R)-butan-2-yl]phenoxy]propyl-butylazanium.

Molecular Properties

Compound Name3-[4-[(2R)-butan-2-yl]phenoxy]propyl-butylazanium
PubChem CID2298384
Molecular FormulaC17H30NO+
Molecular Weight264.43 g/mol
Exact Mass264.23
IUPAC Name3-[4-[(2R)-butan-2-yl]phenoxy]propyl-butylazanium
SMILESCCCC[NH2+]CCCOc1ccc([C@H](C)CC)cc1
InChIInChI=1S/C17H29NO/c1-4-6-12-18-13-7-14-19-17-10-8-16(9-11-17)15(3)5-2/h8-11,15,18H,4-7,12-14H2,1-3H3/p+1/t15-/m1/s1
InChIKeyBTHBJCZQGLIASD-OAHLLOKOSA-O
XLogP3.33
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2282958
1-(4-butoxyphenyl)-2-methylbutan-1-ol
CID 105116550
2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179
6-(4-butan-2-ylphenoxy)hexan-3-amine
CID 107664234
butyl-[4-(4-fluorophenoxy)butyl]azanium
CID 2249066
1-butan-2-yl-4-(3,3-dimethylbutoxy)benzene
CID 70947393
butyl-[6-(4-methylphenoxy)hexyl]azanium
CID 2248796
1-butan-2-yl-4-(3-phenylpropoxy)benzene
CID 103601085
(2S)-N-[3-[4-[(2R)-butan-2-yl]phenoxy]propyl]butan-2-amine
CID 2182699
butyl-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]azanium
CID 2581324
1-butan-2-yl-4-(1-butoxyethoxy)benzene
CID 18739256
6-(4-bromophenoxy)hexyl-butylazanium
CID 2249695

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2R)-butan-2-yl]phenoxy]propyl-butylazanium?
The IUPAC name of 3-[4-[(2R)-butan-2-yl]phenoxy]propyl-butylazanium (CID 2298384) is 3-[4-[(2R)-butan-2-yl]phenoxy]propyl-butylazanium.
What is the SMILES notation for 3-[4-[(2R)-butan-2-yl]phenoxy]propyl-butylazanium?
The canonical SMILES for 3-[4-[(2R)-butan-2-yl]phenoxy]propyl-butylazanium is CCCC[NH2+]CCCOc1ccc([C@H](C)CC)cc1.
What is the InChIKey of 3-[4-[(2R)-butan-2-yl]phenoxy]propyl-butylazanium?
The InChIKey is BTHBJCZQGLIASD-OAHLLOKOSA-O. The full InChI is InChI=1S/C17H29NO/c1-4-6-12-18-13-7-14-19-17-10-8-16(9-11-17)15(3)5-2/h8-11,15,18H,4-7,12-14H2,1-3H3/p+1/t15-/m1/s1.
What are the key properties of 3-[4-[(2R)-butan-2-yl]phenoxy]propyl-butylazanium?
3-[4-[(2R)-butan-2-yl]phenoxy]propyl-butylazanium has a molecular weight of 264.43 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2R)-butan-2-yl]phenoxy]propyl-butylazanium is sourced from PubChem (CID 2298384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).