3-(2,3-dihydro-1H-benzo[f][1,4]benzoxazin-2-yl)-N-methylpropan-1-amine

C16H20N2O — CID 84636107

IUPAC3-(2,3-dihydro-1H-benzo[f][1,4]benzoxazin-2-yl)-N-methylpropan-1-amine
SMILESCNCCCC1COc2ccc3ccccc3c2N1
InChIInChI=1S/C16H20N2O/c1-17-10-4-6-13-11-19-15-9-8-12-5-2-3-7-14(12)16(15)18-13/h2-3,5,7-9,13,17-18H,4,6,10-11H2,1H3
InChIKeyOJLRVEYJJZSZST-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.01
Rot. Bonds4

About 3-(2,3-dihydro-1H-benzo[f][1,4]benzoxazin-2-yl)-N-methylpropan-1-amine

3-(2,3-dihydro-1H-benzo[f][1,4]benzoxazin-2-yl)-N-methylpropan-1-amine (PubChem CID 84636107) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-benzo[f][1,4]benzoxazin-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-benzo[f][1,4]benzoxazin-2-yl)-N-methylpropan-1-amine
PubChem CID84636107
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-(2,3-dihydro-1H-benzo[f][1,4]benzoxazin-2-yl)-N-methylpropan-1-amine
SMILESCNCCCC1COc2ccc3ccccc3c2N1
InChIInChI=1S/C16H20N2O/c1-17-10-4-6-13-11-19-15-9-8-12-5-2-3-7-14(12)16(15)18-13/h2-3,5,7-9,13,17-18H,4,6,10-11H2,1H3
InChIKeyOJLRVEYJJZSZST-UHFFFAOYSA-N
XLogP3.01
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-benzo[f][1,4]benzoxazin-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1H-benzo[f][1,4]benzoxazin-2-yl)-N-methylpropan-1-amine (CID 84636107) is 3-(2,3-dihydro-1H-benzo[f][1,4]benzoxazin-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-benzo[f][1,4]benzoxazin-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-benzo[f][1,4]benzoxazin-2-yl)-N-methylpropan-1-amine is CNCCCC1COc2ccc3ccccc3c2N1.
What is the InChIKey of 3-(2,3-dihydro-1H-benzo[f][1,4]benzoxazin-2-yl)-N-methylpropan-1-amine?
The InChIKey is OJLRVEYJJZSZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-17-10-4-6-13-11-19-15-9-8-12-5-2-3-7-14(12)16(15)18-13/h2-3,5,7-9,13,17-18H,4,6,10-11H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-benzo[f][1,4]benzoxazin-2-yl)-N-methylpropan-1-amine?
3-(2,3-dihydro-1H-benzo[f][1,4]benzoxazin-2-yl)-N-methylpropan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-benzo[f][1,4]benzoxazin-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 84636107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).