2-naphthalen-1-yloxyethyl-[(1R)-1-phenylethyl]azanium

C20H22NO+ — CID 2183530

IUPAC2-naphthalen-1-yloxyethyl-[(1R)-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+]CCOc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H21NO/c1-16(17-8-3-2-4-9-17)21-14-15-22-20-13-7-11-18-10-5-6-12-19(18)20/h2-13,16,21H,14-15H2,1H3/p+1/t16-/m1/s1
InChIKeyLIAYSDLTJKVOFQ-MRXNPFEDSA-O
MW292.40 g/mol
LogP3.54
Rot. Bonds6

About 2-naphthalen-1-yloxyethyl-[(1R)-1-phenylethyl]azanium

2-naphthalen-1-yloxyethyl-[(1R)-1-phenylethyl]azanium (PubChem CID 2183530) has the molecular formula C20H22NO+ and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-naphthalen-1-yloxyethyl-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name2-naphthalen-1-yloxyethyl-[(1R)-1-phenylethyl]azanium
PubChem CID2183530
Molecular FormulaC20H22NO+
Molecular Weight292.40 g/mol
Exact Mass292.17
IUPAC Name2-naphthalen-1-yloxyethyl-[(1R)-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+]CCOc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H21NO/c1-16(17-8-3-2-4-9-17)21-14-15-22-20-13-7-11-18-10-5-6-12-19(18)20/h2-13,16,21H,14-15H2,1H3/p+1/t16-/m1/s1
InChIKeyLIAYSDLTJKVOFQ-MRXNPFEDSA-O
XLogP3.54
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.54
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

3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium
CID 2183627
(1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine
CID 2183529
3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine
CID 2183626
ethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium
CID 173469906
1-(4-methylpentoxy)naphthalene
CID 83168126
1-[2-(1-phenylpropan-2-yloxy)ethoxy]naphthalene
CID 71242526
1-butoxynaphthalene
CID 13262700
1-(1-naphthalen-1-yloxypropan-2-yloxy)naphthalene
CID 67649919
(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride
CID 43834240
1-(3-chloropropoxy)naphthalene
CID 12685615
bis[[dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azaniumyl]methoxy]phosphoryloxymethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium
CID 87158822
1-(2-methoxyphenyl)-3-naphthalen-1-yloxypropan-1-amine
CID 19884989

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxyethyl-[(1R)-1-phenylethyl]azanium?
The IUPAC name of 2-naphthalen-1-yloxyethyl-[(1R)-1-phenylethyl]azanium (CID 2183530) is 2-naphthalen-1-yloxyethyl-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for 2-naphthalen-1-yloxyethyl-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for 2-naphthalen-1-yloxyethyl-[(1R)-1-phenylethyl]azanium is C[C@@H]([NH2+]CCOc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 2-naphthalen-1-yloxyethyl-[(1R)-1-phenylethyl]azanium?
The InChIKey is LIAYSDLTJKVOFQ-MRXNPFEDSA-O. The full InChI is InChI=1S/C20H21NO/c1-16(17-8-3-2-4-9-17)21-14-15-22-20-13-7-11-18-10-5-6-12-19(18)20/h2-13,16,21H,14-15H2,1H3/p+1/t16-/m1/s1.
What are the key properties of 2-naphthalen-1-yloxyethyl-[(1R)-1-phenylethyl]azanium?
2-naphthalen-1-yloxyethyl-[(1R)-1-phenylethyl]azanium has a molecular weight of 292.40 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxyethyl-[(1R)-1-phenylethyl]azanium is sourced from PubChem (CID 2183530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).