benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium

C19H24NO2+ — CID 7951691

IUPACbenzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium
SMILESC=CCOc1ccc(C[NH2+]Cc2ccccc2)cc1OCC
InChIInChI=1S/C19H23NO2/c1-3-12-22-18-11-10-17(13-19(18)21-4-2)15-20-14-16-8-6-5-7-9-16/h3,5-11,13,20H,1,4,12,14-15H2,2H3/p+1
InChIKeyBPEMSOJTVPITJU-UHFFFAOYSA-O
MW298.41 g/mol
LogP2.91
Rot. Bonds9

About benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium

benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium (PubChem CID 7951691) has the molecular formula C19H24NO2+ and a molecular weight of 298.41 g/mol. Its IUPAC name is benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium.

Molecular Properties

Compound Namebenzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium
PubChem CID7951691
Molecular FormulaC19H24NO2+
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC Namebenzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium
SMILESC=CCOc1ccc(C[NH2+]Cc2ccccc2)cc1OCC
InChIInChI=1S/C19H23NO2/c1-3-12-22-18-11-10-17(13-19(18)21-4-2)15-20-14-16-8-6-5-7-9-16/h3,5-11,13,20H,1,4,12,14-15H2,2H3/p+1
InChIKeyBPEMSOJTVPITJU-UHFFFAOYSA-O
XLogP2.91
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 7380519
(3-ethoxy-4-prop-2-enoxyphenyl)methyl-(furan-2-ylmethyl)azanium
CID 7458277
(3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(2S)-2-hydroxypropyl]azanium
CID 7991499
(3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8635968
(3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 7228103
(3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium
CID 7449497
(3-ethoxy-4-prop-2-enoxyphenyl)methyl-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]azanium
CID 8639631
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156010
1,3-benzodioxol-5-ylmethyl-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]azanium
CID 7458480
(3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8636164
(3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium
CID 7458290
N-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-prop-2-enoxyphenyl)methanamine
CID 2213977

Frequently Asked Questions

What is the IUPAC name of benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium?
The IUPAC name of benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium (CID 7951691) is benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium.
What is the SMILES notation for benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium?
The canonical SMILES for benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium is C=CCOc1ccc(C[NH2+]Cc2ccccc2)cc1OCC.
What is the InChIKey of benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium?
The InChIKey is BPEMSOJTVPITJU-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23NO2/c1-3-12-22-18-11-10-17(13-19(18)21-4-2)15-20-14-16-8-6-5-7-9-16/h3,5-11,13,20H,1,4,12,14-15H2,2H3/p+1.
What are the key properties of benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium?
benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium has a molecular weight of 298.41 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium is sourced from PubChem (CID 7951691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).