2-methoxy-1H-pyren-2-amine

C17H15NO — CID 23131304

IUPAC2-methoxy-1H-pyren-2-amine
SMILESCOC1(N)C=c2ccc3cccc4ccc(c2c43)C1
InChIInChI=1S/C17H15NO/c1-19-17(18)9-13-7-5-11-3-2-4-12-6-8-14(10-17)16(13)15(11)12/h2-9H,10,18H2,1H3
InChIKeyBFEAFNHGEYZYFI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.35
Rot. Bonds1

About 2-methoxy-1H-pyren-2-amine

2-methoxy-1H-pyren-2-amine (PubChem CID 23131304) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methoxy-1H-pyren-2-amine.

Molecular Properties

Compound Name2-methoxy-1H-pyren-2-amine
PubChem CID23131304
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name2-methoxy-1H-pyren-2-amine
SMILESCOC1(N)C=c2ccc3cccc4ccc(c2c43)C1
InChIInChI=1S/C17H15NO/c1-19-17(18)9-13-7-5-11-3-2-4-12-6-8-14(10-17)16(13)15(11)12/h2-9H,10,18H2,1H3
InChIKeyBFEAFNHGEYZYFI-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1H-pyren-2-amine?
The IUPAC name of 2-methoxy-1H-pyren-2-amine (CID 23131304) is 2-methoxy-1H-pyren-2-amine.
What is the SMILES notation for 2-methoxy-1H-pyren-2-amine?
The canonical SMILES for 2-methoxy-1H-pyren-2-amine is COC1(N)C=c2ccc3cccc4ccc(c2c43)C1.
What is the InChIKey of 2-methoxy-1H-pyren-2-amine?
The InChIKey is BFEAFNHGEYZYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-19-17(18)9-13-7-5-11-3-2-4-12-6-8-14(10-17)16(13)15(11)12/h2-9H,10,18H2,1H3.
What are the key properties of 2-methoxy-1H-pyren-2-amine?
2-methoxy-1H-pyren-2-amine has a molecular weight of 249.31 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1H-pyren-2-amine is sourced from PubChem (CID 23131304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).