3-naphthalen-1-yloxy-N-(2-phenylethyl)propan-1-amine

C21H23NO — CID 2182882

IUPAC3-naphthalen-1-yloxy-N-(2-phenylethyl)propan-1-amine
SMILESc1ccc(CCNCCCOc2cccc3ccccc23)cc1
InChIInChI=1S/C21H23NO/c1-2-8-18(9-3-1)14-16-22-15-7-17-23-21-13-6-11-19-10-4-5-12-20(19)21/h1-6,8-13,22H,7,14-17H2
InChIKeyKFGUBVRIRRHYLD-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.44
Rot. Bonds8

About 3-naphthalen-1-yloxy-N-(2-phenylethyl)propan-1-amine

3-naphthalen-1-yloxy-N-(2-phenylethyl)propan-1-amine (PubChem CID 2182882) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-naphthalen-1-yloxy-N-(2-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name3-naphthalen-1-yloxy-N-(2-phenylethyl)propan-1-amine
PubChem CID2182882
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name3-naphthalen-1-yloxy-N-(2-phenylethyl)propan-1-amine
SMILESc1ccc(CCNCCCOc2cccc3ccccc23)cc1
InChIInChI=1S/C21H23NO/c1-2-8-18(9-3-1)14-16-22-15-7-17-23-21-13-6-11-19-10-4-5-12-20(19)21/h1-6,8-13,22H,7,14-17H2
InChIKeyKFGUBVRIRRHYLD-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yloxy-N-(2-phenylethyl)propan-1-amine?
The IUPAC name of 3-naphthalen-1-yloxy-N-(2-phenylethyl)propan-1-amine (CID 2182882) is 3-naphthalen-1-yloxy-N-(2-phenylethyl)propan-1-amine.
What is the SMILES notation for 3-naphthalen-1-yloxy-N-(2-phenylethyl)propan-1-amine?
The canonical SMILES for 3-naphthalen-1-yloxy-N-(2-phenylethyl)propan-1-amine is c1ccc(CCNCCCOc2cccc3ccccc23)cc1.
What is the InChIKey of 3-naphthalen-1-yloxy-N-(2-phenylethyl)propan-1-amine?
The InChIKey is KFGUBVRIRRHYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-2-8-18(9-3-1)14-16-22-15-7-17-23-21-13-6-11-19-10-4-5-12-20(19)21/h1-6,8-13,22H,7,14-17H2.
What are the key properties of 3-naphthalen-1-yloxy-N-(2-phenylethyl)propan-1-amine?
3-naphthalen-1-yloxy-N-(2-phenylethyl)propan-1-amine has a molecular weight of 305.42 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yloxy-N-(2-phenylethyl)propan-1-amine is sourced from PubChem (CID 2182882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).