methyl hypochlorite;3-N,3-N,7-N,7-N-tetramethyl-10H-phenoxazine-3,7-diamine

C17H22ClN3O2 — CID 143988875

IUPACmethyl hypochlorite;3-N,3-N,7-N,7-N-tetramethyl-10H-phenoxazine-3,7-diamine
SMILESCN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1N2.COCl
InChIInChI=1S/C16H19N3O.CH3ClO/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;1-3-2/h5-10,17H,1-4H3;1H3
InChIKeyOYJUPLQTQYBMBD-UHFFFAOYSA-N
MW335.84 g/mol
LogP4.45
Rot. Bonds2

About methyl hypochlorite;3-N,3-N,7-N,7-N-tetramethyl-10H-phenoxazine-3,7-diamine

methyl hypochlorite;3-N,3-N,7-N,7-N-tetramethyl-10H-phenoxazine-3,7-diamine (PubChem CID 143988875) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is methyl hypochlorite;3-N,3-N,7-N,7-N-tetramethyl-10H-phenoxazine-3,7-diamine.

Molecular Properties

Compound Namemethyl hypochlorite;3-N,3-N,7-N,7-N-tetramethyl-10H-phenoxazine-3,7-diamine
PubChem CID143988875
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Namemethyl hypochlorite;3-N,3-N,7-N,7-N-tetramethyl-10H-phenoxazine-3,7-diamine
SMILESCN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1N2.COCl
InChIInChI=1S/C16H19N3O.CH3ClO/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;1-3-2/h5-10,17H,1-4H3;1H3
InChIKeyOYJUPLQTQYBMBD-UHFFFAOYSA-N
XLogP4.45
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-chloro-N,N-dimethyl-12H-benzo[a]phenoxazin-9-amine
CID 141046527
3-N,3-N,7-N,7-N-tetramethyl-5-oxo-10H-phenothiazine-3,7-diamine
CID 86238854
3-N,3-N,7-N,7-N-tetraphenyl-10H-phenoxazine-3,7-diamine
CID 118518276
3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;dihydroiodide
CID 16747676
3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazin-5-ium-3,7-diamine bromide
CID 157292937
9-(dimethylamino)-3-prop-1-ynoxy-6,12-dihydrobenzo[a]phenoxazin-5-one
CID 140512104
2,7-dichloro-10H-phenoxazine
CID 139887196
10-chloro-2-N,2-N-dimethyl-5H-phenazine-2,8-diamine
CID 174994612
10H-phenoxazine-3,7-dicarbonyl chloride
CID 152711123
3-N,7-N,7-N-trimethyl-10H-phenothiazin-5-ium-3,7-diamine iodide
CID 161338300
3-N,3-N,6-N,6-N-tetramethyl-9-(2,3,4,5,6-pentafluorophenyl)-9H-xanthene-3,6-diamine
CID 59705964
N,N-dimethyl-2,3-dihydro-1H-indol-5-amine
CID 16767807

Frequently Asked Questions

What is the IUPAC name of methyl hypochlorite;3-N,3-N,7-N,7-N-tetramethyl-10H-phenoxazine-3,7-diamine?
The IUPAC name of methyl hypochlorite;3-N,3-N,7-N,7-N-tetramethyl-10H-phenoxazine-3,7-diamine (CID 143988875) is methyl hypochlorite;3-N,3-N,7-N,7-N-tetramethyl-10H-phenoxazine-3,7-diamine.
What is the SMILES notation for methyl hypochlorite;3-N,3-N,7-N,7-N-tetramethyl-10H-phenoxazine-3,7-diamine?
The canonical SMILES for methyl hypochlorite;3-N,3-N,7-N,7-N-tetramethyl-10H-phenoxazine-3,7-diamine is CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1N2.COCl.
What is the InChIKey of methyl hypochlorite;3-N,3-N,7-N,7-N-tetramethyl-10H-phenoxazine-3,7-diamine?
The InChIKey is OYJUPLQTQYBMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.CH3ClO/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;1-3-2/h5-10,17H,1-4H3;1H3.
What are the key properties of methyl hypochlorite;3-N,3-N,7-N,7-N-tetramethyl-10H-phenoxazine-3,7-diamine?
methyl hypochlorite;3-N,3-N,7-N,7-N-tetramethyl-10H-phenoxazine-3,7-diamine has a molecular weight of 335.84 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hypochlorite;3-N,3-N,7-N,7-N-tetramethyl-10H-phenoxazine-3,7-diamine is sourced from PubChem (CID 143988875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).