2-(1-methoxypyren-2-yl)propan-1-amine

C20H19NO — CID 170435018

IUPAC2-(1-methoxypyren-2-yl)propan-1-amine
SMILESCOc1c(C(C)CN)cc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C20H19NO/c1-12(11-21)17-10-15-7-6-13-4-3-5-14-8-9-16(20(17)22-2)19(15)18(13)14/h3-10,12H,11,21H2,1-2H3
InChIKeyOGQQWLHFWPKTEJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.65
Rot. Bonds3

About 2-(1-methoxypyren-2-yl)propan-1-amine

2-(1-methoxypyren-2-yl)propan-1-amine (PubChem CID 170435018) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(1-methoxypyren-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1-methoxypyren-2-yl)propan-1-amine
PubChem CID170435018
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name2-(1-methoxypyren-2-yl)propan-1-amine
SMILESCOc1c(C(C)CN)cc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C20H19NO/c1-12(11-21)17-10-15-7-6-13-4-3-5-14-8-9-16(20(17)22-2)19(15)18(13)14/h3-10,12H,11,21H2,1-2H3
InChIKeyOGQQWLHFWPKTEJ-UHFFFAOYSA-N
XLogP4.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypyren-2-yl)propan-1-amine?
The IUPAC name of 2-(1-methoxypyren-2-yl)propan-1-amine (CID 170435018) is 2-(1-methoxypyren-2-yl)propan-1-amine.
What is the SMILES notation for 2-(1-methoxypyren-2-yl)propan-1-amine?
The canonical SMILES for 2-(1-methoxypyren-2-yl)propan-1-amine is COc1c(C(C)CN)cc2ccc3cccc4ccc1c2c34.
What is the InChIKey of 2-(1-methoxypyren-2-yl)propan-1-amine?
The InChIKey is OGQQWLHFWPKTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-12(11-21)17-10-15-7-6-13-4-3-5-14-8-9-16(20(17)22-2)19(15)18(13)14/h3-10,12H,11,21H2,1-2H3.
What are the key properties of 2-(1-methoxypyren-2-yl)propan-1-amine?
2-(1-methoxypyren-2-yl)propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypyren-2-yl)propan-1-amine is sourced from PubChem (CID 170435018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).