2-hydroxyethyl-[(2-methoxynaphthalen-1-yl)methyl]azanium

C14H18NO2+ — CID 7322221

IUPAC2-hydroxyethyl-[(2-methoxynaphthalen-1-yl)methyl]azanium
SMILESCOc1ccc2ccccc2c1C[NH2+]CCO
InChIInChI=1S/C14H17NO2/c1-17-14-7-6-11-4-2-3-5-12(11)13(14)10-15-8-9-16/h2-7,15-16H,8-10H2,1H3/p+1
InChIKeyJGZPWDAUIBQIOU-UHFFFAOYSA-O
MW232.30 g/mol
LogP0.90
Rot. Bonds5

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

2-hydroxyethyl-[(2-methoxynaphthalen-1-yl)methyl]azanium (PubChem CID 7322221) has the molecular formula C14H18NO2+ and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-hydroxyethyl-[(2-methoxynaphthalen-1-yl)methyl]azanium.

Molecular Properties

Compound Name2-hydroxyethyl-[(2-methoxynaphthalen-1-yl)methyl]azanium
PubChem CID7322221
Molecular FormulaC14H18NO2+
Molecular Weight232.30 g/mol
Exact Mass232.13
IUPAC Name2-hydroxyethyl-[(2-methoxynaphthalen-1-yl)methyl]azanium
SMILESCOc1ccc2ccccc2c1C[NH2+]CCO
InChIInChI=1S/C14H17NO2/c1-17-14-7-6-11-4-2-3-5-12(11)13(14)10-15-8-9-16/h2-7,15-16H,8-10H2,1H3/p+1
InChIKeyJGZPWDAUIBQIOU-UHFFFAOYSA-O
XLogP0.90
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl-[(2-prop-2-enoxynaphthalen-1-yl)methyl]azanium
CID 7937276
(2R)-1-(2-methoxynaphthalen-1-yl)propan-2-ol
CID 92532795
4-(2-methoxynaphthalen-1-yl)butane-1,2-diol
CID 82185801
(2-methoxyanthracen-1-yl)methanol
CID 102344428
2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol
CID 3160564
[amino-(2-methoxynaphthalen-1-yl)methylidene]azanium
CID 6347163
1-(2-methoxynaphthalen-1-yl)but-3-en-2-one
CID 139940505
2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 139095345
3-(2-methoxynaphthalen-1-yl)-N,N-dimethylpropan-1-amine
CID 170865305
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
2-(3,6-dimethoxy-2-methylphenyl)ethanol
CID 117286361
1-cyclohexyl-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine
CID 43215559

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-[(2-methoxynaphthalen-1-yl)methyl]azanium?
The IUPAC name of 2-hydroxyethyl-[(2-methoxynaphthalen-1-yl)methyl]azanium (CID 7322221) is 2-hydroxyethyl-[(2-methoxynaphthalen-1-yl)methyl]azanium.
What is the SMILES notation for 2-hydroxyethyl-[(2-methoxynaphthalen-1-yl)methyl]azanium?
The canonical SMILES for 2-hydroxyethyl-[(2-methoxynaphthalen-1-yl)methyl]azanium is COc1ccc2ccccc2c1C[NH2+]CCO.
What is the InChIKey of 2-hydroxyethyl-[(2-methoxynaphthalen-1-yl)methyl]azanium?
The InChIKey is JGZPWDAUIBQIOU-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H17NO2/c1-17-14-7-6-11-4-2-3-5-12(11)13(14)10-15-8-9-16/h2-7,15-16H,8-10H2,1H3/p+1.
What are the key properties of 2-hydroxyethyl-[(2-methoxynaphthalen-1-yl)methyl]azanium?
2-hydroxyethyl-[(2-methoxynaphthalen-1-yl)methyl]azanium has a molecular weight of 232.30 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-[(2-methoxynaphthalen-1-yl)methyl]azanium is sourced from PubChem (CID 7322221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).