3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium

C21H24NO+ — CID 2183627

IUPAC3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+]CCCOc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H23NO/c1-17(18-9-3-2-4-10-18)22-15-8-16-23-21-14-7-12-19-11-5-6-13-20(19)21/h2-7,9-14,17,22H,8,15-16H2,1H3/p+1/t17-/m1/s1
InChIKeyOWDTUONCXUNSSA-QGZVFWFLSA-O
MW306.43 g/mol
LogP3.93
Rot. Bonds7

About 3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium

3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium (PubChem CID 2183627) has the molecular formula C21H24NO+ and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium
PubChem CID2183627
Molecular FormulaC21H24NO+
Molecular Weight306.43 g/mol
Exact Mass306.19
IUPAC Name3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+]CCCOc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H23NO/c1-17(18-9-3-2-4-10-18)22-15-8-16-23-21-14-7-12-19-11-5-6-13-20(19)21/h2-7,9-14,17,22H,8,15-16H2,1H3/p+1/t17-/m1/s1
InChIKeyOWDTUONCXUNSSA-QGZVFWFLSA-O
XLogP3.93
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.93
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

2-naphthalen-1-yloxyethyl-[(1R)-1-phenylethyl]azanium
CID 2183530
3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine
CID 2183626
1-(4-methylpentoxy)naphthalene
CID 83168126
(1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine
CID 2183529
1-butoxynaphthalene
CID 13262700
ethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium
CID 173469906
4-(4-chlorophenoxy)butyl-[(1S)-1-phenylethyl]azanium
CID 2182151
1-(3-chloropropoxy)naphthalene
CID 12685615
1-[2-(1-phenylpropan-2-yloxy)ethoxy]naphthalene
CID 71242526
1-(1-naphthalen-1-yloxypropan-2-yloxy)naphthalene
CID 67649919
N-methylmethanamine;1-(3-phenylpropoxy)naphthalene
CID 142048688
(1S)-N,N-dimethyl-3-[(1R)-3-naphthalen-1-yloxy-1-phenylpropoxy]-1-phenylpropan-1-amine
CID 152608744

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium?
The IUPAC name of 3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium (CID 2183627) is 3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for 3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for 3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium is C[C@@H]([NH2+]CCCOc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium?
The InChIKey is OWDTUONCXUNSSA-QGZVFWFLSA-O. The full InChI is InChI=1S/C21H23NO/c1-17(18-9-3-2-4-10-18)22-15-8-16-23-21-14-7-12-19-11-5-6-13-20(19)21/h2-7,9-14,17,22H,8,15-16H2,1H3/p+1/t17-/m1/s1.
What are the key properties of 3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium?
3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium has a molecular weight of 306.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium is sourced from PubChem (CID 2183627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).