ethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium

C23H28NO+ — CID 173469906

IUPACethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium
SMILESCC[N+](C)(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C23H28NO/c1-4-24(2,3)22(20-12-6-5-7-13-20)17-18-25-23-16-10-14-19-11-8-9-15-21(19)23/h5-16,22H,4,17-18H2,1-3H3/q+1/t22-/m0/s1
InChIKeyGNQVGDURUKBYEY-QFIPXVFZSA-N
MW334.48 g/mol
LogP5.45
Rot. Bonds7

About ethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium

ethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium (PubChem CID 173469906) has the molecular formula C23H28NO+ and a molecular weight of 334.48 g/mol. Its IUPAC name is ethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium.

Molecular Properties

Compound Nameethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium
PubChem CID173469906
Molecular FormulaC23H28NO+
Molecular Weight334.48 g/mol
Exact Mass334.22
IUPAC Nameethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium
SMILESCC[N+](C)(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C23H28NO/c1-4-24(2,3)22(20-12-6-5-7-13-20)17-18-25-23-16-10-14-19-11-8-9-15-21(19)23/h5-16,22H,4,17-18H2,1-3H3/q+1/t22-/m0/s1
InChIKeyGNQVGDURUKBYEY-QFIPXVFZSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.48
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis[[dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azaniumyl]methoxy]phosphoryloxymethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium
CID 87158822
[dimethyl-(3-naphthalen-1-yloxy-1-phenylpropyl)azaniumyl]methyl hydrogen phosphate
CID 87158886
1-(4-methylpentoxy)naphthalene
CID 83168126
2-naphthalen-1-yloxyethyl-[(1R)-1-phenylethyl]azanium
CID 2183530
(1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine
CID 2183529
dimethyl-(3-naphthalen-1-yloxy-1-phenylpropyl)-(2-phenyl-1-phosphonooxyethyl)azanium
CID 87158820
3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine
CID 2183626
3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium
CID 2183627
1-butoxynaphthalene
CID 13262700
(1S)-N,N-dimethyl-3-[(1R)-3-naphthalen-1-yloxy-1-phenylpropoxy]-1-phenylpropan-1-amine
CID 152608744
2-(ethylamino)-4-naphthalen-1-yloxybutan-1-ol
CID 22754998
1-[2-(1-phenylpropan-2-yloxy)ethoxy]naphthalene
CID 71242526

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium?
The IUPAC name of ethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium (CID 173469906) is ethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium.
What is the SMILES notation for ethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium?
The canonical SMILES for ethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium is CC[N+](C)(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of ethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium?
The InChIKey is GNQVGDURUKBYEY-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H28NO/c1-4-24(2,3)22(20-12-6-5-7-13-20)17-18-25-23-16-10-14-19-11-8-9-15-21(19)23/h5-16,22H,4,17-18H2,1-3H3/q+1/t22-/m0/s1.
What are the key properties of ethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium?
ethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium has a molecular weight of 334.48 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium is sourced from PubChem (CID 173469906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).