2-hydroxyethyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium

C16H20NO2+ — CID 7937276

IUPAC2-hydroxyethyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium
SMILESC=CCOc1ccc2ccccc2c1C[NH2+]CCO
InChIInChI=1S/C16H19NO2/c1-2-11-19-16-8-7-13-5-3-4-6-14(13)15(16)12-17-9-10-18/h2-8,17-18H,1,9-12H2/p+1
InChIKeyNFTQGQNGNNQTSO-UHFFFAOYSA-O
MW258.34 g/mol
LogP1.46
Rot. Bonds7

About 2-hydroxyethyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium

2-hydroxyethyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium (PubChem CID 7937276) has the molecular formula C16H20NO2+ and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-hydroxyethyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium.

Molecular Properties

Compound Name2-hydroxyethyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium
PubChem CID7937276
Molecular FormulaC16H20NO2+
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name2-hydroxyethyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium
SMILESC=CCOc1ccc2ccccc2c1C[NH2+]CCO
InChIInChI=1S/C16H19NO2/c1-2-11-19-16-8-7-13-5-3-4-6-14(13)15(16)12-17-9-10-18/h2-8,17-18H,1,9-12H2/p+1
InChIKeyNFTQGQNGNNQTSO-UHFFFAOYSA-O
XLogP1.46
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl-[(2-methoxynaphthalen-1-yl)methyl]azanium
CID 7322221
[(2R)-oxolan-2-yl]methyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium
CID 2111518
1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane
CID 160621443
1-prop-2-enyl-2-prop-2-ynoxynaphthalene
CID 71425133
1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine
CID 54847639
2-but-3-enoxy-1-prop-2-enylnaphthalene
CID 16750888
methyl 2-prop-2-enoxynaphthalene-1-carboxylate
CID 118875774
1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
CID 2969882
1-[(2R)-oxolan-2-yl]-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
CID 2111519
(2-prop-2-enoxyphenyl)methanol
CID 11137475
(E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide
CID 170876678
2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine
CID 54930367

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium?
The IUPAC name of 2-hydroxyethyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium (CID 7937276) is 2-hydroxyethyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium.
What is the SMILES notation for 2-hydroxyethyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium?
The canonical SMILES for 2-hydroxyethyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium is C=CCOc1ccc2ccccc2c1C[NH2+]CCO.
What is the InChIKey of 2-hydroxyethyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium?
The InChIKey is NFTQGQNGNNQTSO-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H19NO2/c1-2-11-19-16-8-7-13-5-3-4-6-14(13)15(16)12-17-9-10-18/h2-8,17-18H,1,9-12H2/p+1.
What are the key properties of 2-hydroxyethyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium?
2-hydroxyethyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium has a molecular weight of 258.34 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium is sourced from PubChem (CID 7937276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).