ethane;N-[methoxy(methyl)phosphoryl]-3-methylaniline

C11H20NO2P — CID 176559926

IUPACethane;N-[methoxy(methyl)phosphoryl]-3-methylaniline
SMILESCC.COP(C)(=O)Nc1cccc(C)c1
InChIInChI=1S/C9H14NO2P.C2H6/c1-8-5-4-6-9(7-8)10-13(3,11)12-2;1-2/h4-7H,1-3H3,(H,10,11);1-2H3
InChIKeyGLMHUWUMDCTTLF-UHFFFAOYSA-N
MW229.26 g/mol
LogP3.90
Rot. Bonds3

About ethane;N-[methoxy(methyl)phosphoryl]-3-methylaniline

ethane;N-[methoxy(methyl)phosphoryl]-3-methylaniline (PubChem CID 176559926) has the molecular formula C11H20NO2P and a molecular weight of 229.26 g/mol. Its IUPAC name is ethane;N-[methoxy(methyl)phosphoryl]-3-methylaniline.

Molecular Properties

Compound Nameethane;N-[methoxy(methyl)phosphoryl]-3-methylaniline
PubChem CID176559926
Molecular FormulaC11H20NO2P
Molecular Weight229.26 g/mol
Exact Mass229.12
IUPAC Nameethane;N-[methoxy(methyl)phosphoryl]-3-methylaniline
SMILESCC.COP(C)(=O)Nc1cccc(C)c1
InChIInChI=1S/C9H14NO2P.C2H6/c1-8-5-4-6-9(7-8)10-13(3,11)12-2;1-2/h4-7H,1-3H3,(H,10,11);1-2H3
InChIKeyGLMHUWUMDCTTLF-UHFFFAOYSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N,3-dimethylaniline;methyl formate
CID 143511475
(3-methylphenyl)sulfamic acid
CID 10307955
(3-methylanilino)azanium
CID 4555748
N-(3-methylphenyl)acetamide
CID 10843
N-ethenyl-3-methylaniline
CID 69480469
(3-methylanilino)-oxosulfanium
CID 143284589
CID 143536614
CID 143536614
ethane;1,3-xylene
CID 54570178
1-(3-methylanilino)oxyethenol
CID 58668555
N-(1,3-dimethoxypropan-2-yl)-3-methylaniline
CID 13275408
1-dimethylphosphoryloxy-3-methylbenzene
CID 23081729
methyl 4-bromo-2-methyl-2-(3-methylphenyl)butanoate
CID 171077022

Frequently Asked Questions

What is the IUPAC name of ethane;N-[methoxy(methyl)phosphoryl]-3-methylaniline?
The IUPAC name of ethane;N-[methoxy(methyl)phosphoryl]-3-methylaniline (CID 176559926) is ethane;N-[methoxy(methyl)phosphoryl]-3-methylaniline.
What is the SMILES notation for ethane;N-[methoxy(methyl)phosphoryl]-3-methylaniline?
The canonical SMILES for ethane;N-[methoxy(methyl)phosphoryl]-3-methylaniline is CC.COP(C)(=O)Nc1cccc(C)c1.
What is the InChIKey of ethane;N-[methoxy(methyl)phosphoryl]-3-methylaniline?
The InChIKey is GLMHUWUMDCTTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO2P.C2H6/c1-8-5-4-6-9(7-8)10-13(3,11)12-2;1-2/h4-7H,1-3H3,(H,10,11);1-2H3.
What are the key properties of ethane;N-[methoxy(methyl)phosphoryl]-3-methylaniline?
ethane;N-[methoxy(methyl)phosphoryl]-3-methylaniline has a molecular weight of 229.26 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[methoxy(methyl)phosphoryl]-3-methylaniline is sourced from PubChem (CID 176559926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).