2,3-bis(oxiran-2-ylmethyl)naphthalen-1-amine

C16H17NO2 — CID 23126170

IUPAC2,3-bis(oxiran-2-ylmethyl)naphthalen-1-amine
SMILESNc1c(CC2CO2)c(CC2CO2)cc2ccccc12
InChIInChI=1S/C16H17NO2/c17-16-14-4-2-1-3-10(14)5-11(6-12-8-18-12)15(16)7-13-9-19-13/h1-5,12-13H,6-9,17H2
InChIKeyLXHWTYLKNKFSSE-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.30
Rot. Bonds4

About 2,3-bis(oxiran-2-ylmethyl)naphthalen-1-amine

2,3-bis(oxiran-2-ylmethyl)naphthalen-1-amine (PubChem CID 23126170) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2,3-bis(oxiran-2-ylmethyl)naphthalen-1-amine.

Molecular Properties

Compound Name2,3-bis(oxiran-2-ylmethyl)naphthalen-1-amine
PubChem CID23126170
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2,3-bis(oxiran-2-ylmethyl)naphthalen-1-amine
SMILESNc1c(CC2CO2)c(CC2CO2)cc2ccccc12
InChIInChI=1S/C16H17NO2/c17-16-14-4-2-1-3-10(14)5-11(6-12-8-18-12)15(16)7-13-9-19-13/h1-5,12-13H,6-9,17H2
InChIKeyLXHWTYLKNKFSSE-UHFFFAOYSA-N
XLogP2.30
TPSA51.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(oxiran-2-ylmethyl)naphthalen-1-amine?
The IUPAC name of 2,3-bis(oxiran-2-ylmethyl)naphthalen-1-amine (CID 23126170) is 2,3-bis(oxiran-2-ylmethyl)naphthalen-1-amine.
What is the SMILES notation for 2,3-bis(oxiran-2-ylmethyl)naphthalen-1-amine?
The canonical SMILES for 2,3-bis(oxiran-2-ylmethyl)naphthalen-1-amine is Nc1c(CC2CO2)c(CC2CO2)cc2ccccc12.
What is the InChIKey of 2,3-bis(oxiran-2-ylmethyl)naphthalen-1-amine?
The InChIKey is LXHWTYLKNKFSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c17-16-14-4-2-1-3-10(14)5-11(6-12-8-18-12)15(16)7-13-9-19-13/h1-5,12-13H,6-9,17H2.
What are the key properties of 2,3-bis(oxiran-2-ylmethyl)naphthalen-1-amine?
2,3-bis(oxiran-2-ylmethyl)naphthalen-1-amine has a molecular weight of 255.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(oxiran-2-ylmethyl)naphthalen-1-amine is sourced from PubChem (CID 23126170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).