N,N,5-triethyl-12H-benzo[a]phenoxazin-9-amine

C22H24N2O — CID 70022244

IUPACN,N,5-triethyl-12H-benzo[a]phenoxazin-9-amine
SMILESCCc1cc2c(c3ccccc13)Nc1ccc(N(CC)CC)cc1O2
InChIInChI=1S/C22H24N2O/c1-4-15-13-21-22(18-10-8-7-9-17(15)18)23-19-12-11-16(14-20(19)25-21)24(5-2)6-3/h7-14,23H,4-6H2,1-3H3
InChIKeyOYYXPGALXKMULK-UHFFFAOYSA-N
MW332.45 g/mol
LogP6.10
Rot. Bonds4

About N,N,5-triethyl-12H-benzo[a]phenoxazin-9-amine

N,N,5-triethyl-12H-benzo[a]phenoxazin-9-amine (PubChem CID 70022244) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is N,N,5-triethyl-12H-benzo[a]phenoxazin-9-amine.

Molecular Properties

Compound NameN,N,5-triethyl-12H-benzo[a]phenoxazin-9-amine
PubChem CID70022244
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC NameN,N,5-triethyl-12H-benzo[a]phenoxazin-9-amine
SMILESCCc1cc2c(c3ccccc13)Nc1ccc(N(CC)CC)cc1O2
InChIInChI=1S/C22H24N2O/c1-4-15-13-21-22(18-10-8-7-9-17(15)18)23-19-12-11-16(14-20(19)25-21)24(5-2)6-3/h7-14,23H,4-6H2,1-3H3
InChIKeyOYYXPGALXKMULK-UHFFFAOYSA-N
XLogP6.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,5-triethyl-12H-benzo[a]phenoxazin-9-amine?
The IUPAC name of N,N,5-triethyl-12H-benzo[a]phenoxazin-9-amine (CID 70022244) is N,N,5-triethyl-12H-benzo[a]phenoxazin-9-amine.
What is the SMILES notation for N,N,5-triethyl-12H-benzo[a]phenoxazin-9-amine?
The canonical SMILES for N,N,5-triethyl-12H-benzo[a]phenoxazin-9-amine is CCc1cc2c(c3ccccc13)Nc1ccc(N(CC)CC)cc1O2.
What is the InChIKey of N,N,5-triethyl-12H-benzo[a]phenoxazin-9-amine?
The InChIKey is OYYXPGALXKMULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-4-15-13-21-22(18-10-8-7-9-17(15)18)23-19-12-11-16(14-20(19)25-21)24(5-2)6-3/h7-14,23H,4-6H2,1-3H3.
What are the key properties of N,N,5-triethyl-12H-benzo[a]phenoxazin-9-amine?
N,N,5-triethyl-12H-benzo[a]phenoxazin-9-amine has a molecular weight of 332.45 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-triethyl-12H-benzo[a]phenoxazin-9-amine is sourced from PubChem (CID 70022244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).