1-pentoxy-3,4-dihydro-2H-naphthalen-1-amine

C15H23NO — CID 70292512

IUPAC1-pentoxy-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCCCCOC1(N)CCCc2ccccc21
InChIInChI=1S/C15H23NO/c1-2-3-6-12-17-15(16)11-7-9-13-8-4-5-10-14(13)15/h4-5,8,10H,2-3,6-7,9,11-12,16H2,1H3
InChIKeyLJAXORDPALHDAH-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.34
Rot. Bonds5

About 1-pentoxy-3,4-dihydro-2H-naphthalen-1-amine

1-pentoxy-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 70292512) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-pentoxy-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-pentoxy-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID70292512
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-pentoxy-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCCCCOC1(N)CCCc2ccccc21
InChIInChI=1S/C15H23NO/c1-2-3-6-12-17-15(16)11-7-9-13-8-4-5-10-14(13)15/h4-5,8,10H,2-3,6-7,9,11-12,16H2,1H3
InChIKeyLJAXORDPALHDAH-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pentoxy-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-pentoxy-3,4-dihydro-2H-naphthalen-1-amine (CID 70292512) is 1-pentoxy-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-pentoxy-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-pentoxy-3,4-dihydro-2H-naphthalen-1-amine is CCCCCOC1(N)CCCc2ccccc21.
What is the InChIKey of 1-pentoxy-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is LJAXORDPALHDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-3-6-12-17-15(16)11-7-9-13-8-4-5-10-14(13)15/h4-5,8,10H,2-3,6-7,9,11-12,16H2,1H3.
What are the key properties of 1-pentoxy-3,4-dihydro-2H-naphthalen-1-amine?
1-pentoxy-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentoxy-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 70292512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).