(E)-1-(2,6-dimethoxyphenyl)-N'-methyl-N'-(methylideneamino)-2-phosphanylethene-1,2-diamine

C12H18N3O2P — CID 143363616

IUPAC(E)-1-(2,6-dimethoxyphenyl)-N'-methyl-N'-(methylideneamino)-2-phosphanylethene-1,2-diamine
SMILESC=NN(C)/C(P)=C(\N)c1c(OC)cccc1OC
InChIInChI=1S/C12H18N3O2P/c1-14-15(2)12(18)11(13)10-8(16-3)6-5-7-9(10)17-4/h5-7H,1,13,18H2,2-4H3/b12-11+
InChIKeyWZJZLPGXHIDAOX-VAWYXSNFSA-N
MW267.27 g/mol
LogP1.71
Rot. Bonds5

About (E)-1-(2,6-dimethoxyphenyl)-N'-methyl-N'-(methylideneamino)-2-phosphanylethene-1,2-diamine

(E)-1-(2,6-dimethoxyphenyl)-N'-methyl-N'-(methylideneamino)-2-phosphanylethene-1,2-diamine (PubChem CID 143363616) has the molecular formula C12H18N3O2P and a molecular weight of 267.27 g/mol. Its IUPAC name is (E)-1-(2,6-dimethoxyphenyl)-N'-methyl-N'-(methylideneamino)-2-phosphanylethene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-(2,6-dimethoxyphenyl)-N'-methyl-N'-(methylideneamino)-2-phosphanylethene-1,2-diamine
PubChem CID143363616
Molecular FormulaC12H18N3O2P
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC Name(E)-1-(2,6-dimethoxyphenyl)-N'-methyl-N'-(methylideneamino)-2-phosphanylethene-1,2-diamine
SMILESC=NN(C)/C(P)=C(\N)c1c(OC)cccc1OC
InChIInChI=1S/C12H18N3O2P/c1-14-15(2)12(18)11(13)10-8(16-3)6-5-7-9(10)17-4/h5-7H,1,13,18H2,2-4H3/b12-11+
InChIKeyWZJZLPGXHIDAOX-VAWYXSNFSA-N
XLogP1.71
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-6-methoxy-N'-methylbenzenecarboximidamide
CID 137209939
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,6-dimethoxy-N-methylbenzamide
CID 76928224
1-[2-[bis(methylideneamino)amino]-6-methoxyphenyl]-2-methylprop-2-en-1-one
CID 144870339
azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine
CID 62483741
2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine
CID 76944433
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
2-bromo-6-methoxybenzenecarbothioamide
CID 114882804
(2-hydroxy-3-methoxyphenyl) carbamate
CID 68617707
4-(2,6-dimethoxyphenyl)-4-oxobutanamide
CID 70615258
2-(2-methoxyphenyl)prop-2-enamide
CID 67011938

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,6-dimethoxyphenyl)-N'-methyl-N'-(methylideneamino)-2-phosphanylethene-1,2-diamine?
The IUPAC name of (E)-1-(2,6-dimethoxyphenyl)-N'-methyl-N'-(methylideneamino)-2-phosphanylethene-1,2-diamine (CID 143363616) is (E)-1-(2,6-dimethoxyphenyl)-N'-methyl-N'-(methylideneamino)-2-phosphanylethene-1,2-diamine.
What is the SMILES notation for (E)-1-(2,6-dimethoxyphenyl)-N'-methyl-N'-(methylideneamino)-2-phosphanylethene-1,2-diamine?
The canonical SMILES for (E)-1-(2,6-dimethoxyphenyl)-N'-methyl-N'-(methylideneamino)-2-phosphanylethene-1,2-diamine is C=NN(C)/C(P)=C(\N)c1c(OC)cccc1OC.
What is the InChIKey of (E)-1-(2,6-dimethoxyphenyl)-N'-methyl-N'-(methylideneamino)-2-phosphanylethene-1,2-diamine?
The InChIKey is WZJZLPGXHIDAOX-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H18N3O2P/c1-14-15(2)12(18)11(13)10-8(16-3)6-5-7-9(10)17-4/h5-7H,1,13,18H2,2-4H3/b12-11+.
What are the key properties of (E)-1-(2,6-dimethoxyphenyl)-N'-methyl-N'-(methylideneamino)-2-phosphanylethene-1,2-diamine?
(E)-1-(2,6-dimethoxyphenyl)-N'-methyl-N'-(methylideneamino)-2-phosphanylethene-1,2-diamine has a molecular weight of 267.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,6-dimethoxyphenyl)-N'-methyl-N'-(methylideneamino)-2-phosphanylethene-1,2-diamine is sourced from PubChem (CID 143363616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).