(2-butoxyphenyl)methyl-ethylazanium

C13H22NO+ — CID 7378012

IUPAC(2-butoxyphenyl)methyl-ethylazanium
SMILESCCCCOc1ccccc1C[NH2+]CC
InChIInChI=1S/C13H21NO/c1-3-5-10-15-13-9-7-6-8-12(13)11-14-4-2/h6-9,14H,3-5,10-11H2,1-2H3/p+1
InChIKeyWFWYPUXSWBRUSR-UHFFFAOYSA-O
MW208.33 g/mol
LogP1.95
Rot. Bonds7

About (2-butoxyphenyl)methyl-ethylazanium

(2-butoxyphenyl)methyl-ethylazanium (PubChem CID 7378012) has the molecular formula C13H22NO+ and a molecular weight of 208.33 g/mol. Its IUPAC name is (2-butoxyphenyl)methyl-ethylazanium.

Molecular Properties

Compound Name(2-butoxyphenyl)methyl-ethylazanium
PubChem CID7378012
Molecular FormulaC13H22NO+
Molecular Weight208.33 g/mol
Exact Mass208.17
IUPAC Name(2-butoxyphenyl)methyl-ethylazanium
SMILESCCCCOc1ccccc1C[NH2+]CC
InChIInChI=1S/C13H21NO/c1-3-5-10-15-13-9-7-6-8-12(13)11-14-4-2/h6-9,14H,3-5,10-11H2,1-2H3/p+1
InChIKeyWFWYPUXSWBRUSR-UHFFFAOYSA-O
XLogP1.95
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.95
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

(2-butoxyphenyl)methyliminotitanium
CID 87197338
1-ethyl-2-heptoxybenzene
CID 22723794
1-(2-butoxyphenyl)propan-2-one
CID 82161473
2-(2-butoxyphenyl)ethanamine;hydrochloride
CID 3045706
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
1-butyl-2-nonoxybenzene
CID 118255282
1-(bromomethyl)-2-dodecoxybenzene
CID 63534495
(2-octoxyphenyl)methanol
CID 43128604
[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825
2-(2-pentoxyphenyl)ethanol
CID 91657515
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044

Frequently Asked Questions

What is the IUPAC name of (2-butoxyphenyl)methyl-ethylazanium?
The IUPAC name of (2-butoxyphenyl)methyl-ethylazanium (CID 7378012) is (2-butoxyphenyl)methyl-ethylazanium.
What is the SMILES notation for (2-butoxyphenyl)methyl-ethylazanium?
The canonical SMILES for (2-butoxyphenyl)methyl-ethylazanium is CCCCOc1ccccc1C[NH2+]CC.
What is the InChIKey of (2-butoxyphenyl)methyl-ethylazanium?
The InChIKey is WFWYPUXSWBRUSR-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H21NO/c1-3-5-10-15-13-9-7-6-8-12(13)11-14-4-2/h6-9,14H,3-5,10-11H2,1-2H3/p+1.
What are the key properties of (2-butoxyphenyl)methyl-ethylazanium?
(2-butoxyphenyl)methyl-ethylazanium has a molecular weight of 208.33 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butoxyphenyl)methyl-ethylazanium is sourced from PubChem (CID 7378012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).