1-chloro-N,N-dimethyl-12H-benzo[a]phenoxazin-9-amine

C18H15ClN2O — CID 141046527

IUPAC1-chloro-N,N-dimethyl-12H-benzo[a]phenoxazin-9-amine
SMILESCN(C)c1ccc2c(c1)Oc1ccc3cccc(Cl)c3c1N2
InChIInChI=1S/C18H15ClN2O/c1-21(2)12-7-8-14-16(10-12)22-15-9-6-11-4-3-5-13(19)17(11)18(15)20-14/h3-10,20H,1-2H3
InChIKeyPUGGGINTYKIZSR-UHFFFAOYSA-N
MW310.78 g/mol
LogP5.41
Rot. Bonds1

About 1-chloro-N,N-dimethyl-12H-benzo[a]phenoxazin-9-amine

1-chloro-N,N-dimethyl-12H-benzo[a]phenoxazin-9-amine (PubChem CID 141046527) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-chloro-N,N-dimethyl-12H-benzo[a]phenoxazin-9-amine.

Molecular Properties

Compound Name1-chloro-N,N-dimethyl-12H-benzo[a]phenoxazin-9-amine
PubChem CID141046527
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name1-chloro-N,N-dimethyl-12H-benzo[a]phenoxazin-9-amine
SMILESCN(C)c1ccc2c(c1)Oc1ccc3cccc(Cl)c3c1N2
InChIInChI=1S/C18H15ClN2O/c1-21(2)12-7-8-14-16(10-12)22-15-9-6-11-4-3-5-13(19)17(11)18(15)20-14/h3-10,20H,1-2H3
InChIKeyPUGGGINTYKIZSR-UHFFFAOYSA-N
XLogP5.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.78
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,N-dimethyl-12H-benzo[a]phenoxazin-9-amine?
The IUPAC name of 1-chloro-N,N-dimethyl-12H-benzo[a]phenoxazin-9-amine (CID 141046527) is 1-chloro-N,N-dimethyl-12H-benzo[a]phenoxazin-9-amine.
What is the SMILES notation for 1-chloro-N,N-dimethyl-12H-benzo[a]phenoxazin-9-amine?
The canonical SMILES for 1-chloro-N,N-dimethyl-12H-benzo[a]phenoxazin-9-amine is CN(C)c1ccc2c(c1)Oc1ccc3cccc(Cl)c3c1N2.
What is the InChIKey of 1-chloro-N,N-dimethyl-12H-benzo[a]phenoxazin-9-amine?
The InChIKey is PUGGGINTYKIZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c1-21(2)12-7-8-14-16(10-12)22-15-9-6-11-4-3-5-13(19)17(11)18(15)20-14/h3-10,20H,1-2H3.
What are the key properties of 1-chloro-N,N-dimethyl-12H-benzo[a]phenoxazin-9-amine?
1-chloro-N,N-dimethyl-12H-benzo[a]phenoxazin-9-amine has a molecular weight of 310.78 g/mol, XLogP of 5.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,N-dimethyl-12H-benzo[a]phenoxazin-9-amine is sourced from PubChem (CID 141046527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).