N-naphthalen-1-yloxy-1-phenylpropan-2-amine;sulfuric acid

C19H21NO5S — CID 174609080

IUPACN-naphthalen-1-yloxy-1-phenylpropan-2-amine;sulfuric acid
SMILESCC(Cc1ccccc1)NOc1cccc2ccccc12.O=S(=O)(O)O
InChIInChI=1S/C19H19NO.H2O4S/c1-15(14-16-8-3-2-4-9-16)20-21-19-13-7-11-17-10-5-6-12-18(17)19;1-5(2,3)4/h2-13,15,20H,14H2,1H3;(H2,1,2,3,4)
InChIKeyHYNOCDJBVKKMQY-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.70
Rot. Bonds5

About N-naphthalen-1-yloxy-1-phenylpropan-2-amine;sulfuric acid

N-naphthalen-1-yloxy-1-phenylpropan-2-amine;sulfuric acid (PubChem CID 174609080) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-naphthalen-1-yloxy-1-phenylpropan-2-amine;sulfuric acid.

Molecular Properties

Compound NameN-naphthalen-1-yloxy-1-phenylpropan-2-amine;sulfuric acid
PubChem CID174609080
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC NameN-naphthalen-1-yloxy-1-phenylpropan-2-amine;sulfuric acid
SMILESCC(Cc1ccccc1)NOc1cccc2ccccc12.O=S(=O)(O)O
InChIInChI=1S/C19H19NO.H2O4S/c1-15(14-16-8-3-2-4-9-16)20-21-19-13-7-11-17-10-5-6-12-18(17)19;1-5(2,3)4/h2-13,15,20H,14H2,1H3;(H2,1,2,3,4)
InChIKeyHYNOCDJBVKKMQY-UHFFFAOYSA-N
XLogP3.70
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yloxy-1-phenylpropan-2-amine;sulfuric acid?
The IUPAC name of N-naphthalen-1-yloxy-1-phenylpropan-2-amine;sulfuric acid (CID 174609080) is N-naphthalen-1-yloxy-1-phenylpropan-2-amine;sulfuric acid.
What is the SMILES notation for N-naphthalen-1-yloxy-1-phenylpropan-2-amine;sulfuric acid?
The canonical SMILES for N-naphthalen-1-yloxy-1-phenylpropan-2-amine;sulfuric acid is CC(Cc1ccccc1)NOc1cccc2ccccc12.O=S(=O)(O)O.
What is the InChIKey of N-naphthalen-1-yloxy-1-phenylpropan-2-amine;sulfuric acid?
The InChIKey is HYNOCDJBVKKMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO.H2O4S/c1-15(14-16-8-3-2-4-9-16)20-21-19-13-7-11-17-10-5-6-12-18(17)19;1-5(2,3)4/h2-13,15,20H,14H2,1H3;(H2,1,2,3,4).
What are the key properties of N-naphthalen-1-yloxy-1-phenylpropan-2-amine;sulfuric acid?
N-naphthalen-1-yloxy-1-phenylpropan-2-amine;sulfuric acid has a molecular weight of 375.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yloxy-1-phenylpropan-2-amine;sulfuric acid is sourced from PubChem (CID 174609080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).