N-benzyl-N-methyl-3-phenoxazin-10-ylpropan-1-amine

C23H24N2O — CID 118724299

IUPACN-benzyl-N-methyl-3-phenoxazin-10-ylpropan-1-amine
SMILESCN(CCCN1c2ccccc2Oc2ccccc21)Cc1ccccc1
InChIInChI=1S/C23H24N2O/c1-24(18-19-10-3-2-4-11-19)16-9-17-25-20-12-5-7-14-22(20)26-23-15-8-6-13-21(23)25/h2-8,10-15H,9,16-18H2,1H3
InChIKeyYPELZZYTGMXFOX-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.45
Rot. Bonds6

About N-benzyl-N-methyl-3-phenoxazin-10-ylpropan-1-amine

N-benzyl-N-methyl-3-phenoxazin-10-ylpropan-1-amine (PubChem CID 118724299) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-phenoxazin-10-ylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-phenoxazin-10-ylpropan-1-amine
PubChem CID118724299
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC NameN-benzyl-N-methyl-3-phenoxazin-10-ylpropan-1-amine
SMILESCN(CCCN1c2ccccc2Oc2ccccc21)Cc1ccccc1
InChIInChI=1S/C23H24N2O/c1-24(18-19-10-3-2-4-11-19)16-9-17-25-20-12-5-7-14-22(20)26-23-15-8-6-13-21(23)25/h2-8,10-15H,9,16-18H2,1H3
InChIKeyYPELZZYTGMXFOX-UHFFFAOYSA-N
XLogP5.45
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-phenoxazin-10-ylpropan-1-amine?
The IUPAC name of N-benzyl-N-methyl-3-phenoxazin-10-ylpropan-1-amine (CID 118724299) is N-benzyl-N-methyl-3-phenoxazin-10-ylpropan-1-amine.
What is the SMILES notation for N-benzyl-N-methyl-3-phenoxazin-10-ylpropan-1-amine?
The canonical SMILES for N-benzyl-N-methyl-3-phenoxazin-10-ylpropan-1-amine is CN(CCCN1c2ccccc2Oc2ccccc21)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-3-phenoxazin-10-ylpropan-1-amine?
The InChIKey is YPELZZYTGMXFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-24(18-19-10-3-2-4-11-19)16-9-17-25-20-12-5-7-14-22(20)26-23-15-8-6-13-21(23)25/h2-8,10-15H,9,16-18H2,1H3.
What are the key properties of N-benzyl-N-methyl-3-phenoxazin-10-ylpropan-1-amine?
N-benzyl-N-methyl-3-phenoxazin-10-ylpropan-1-amine has a molecular weight of 344.46 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-phenoxazin-10-ylpropan-1-amine is sourced from PubChem (CID 118724299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).