2-dimethylphosphanyl-4-methoxyaniline

C9H14NOP — CID 164564121

IUPAC2-dimethylphosphanyl-4-methoxyaniline
SMILESCOc1ccc(N)c(P(C)C)c1
InChIInChI=1S/C9H14NOP/c1-11-7-4-5-8(10)9(6-7)12(2)3/h4-6H,10H2,1-3H3
InChIKeyLZHAFMFRBWCRBC-UHFFFAOYSA-N
MW183.19 g/mol
LogP1.64
Rot. Bonds2

About 2-dimethylphosphanyl-4-methoxyaniline

2-dimethylphosphanyl-4-methoxyaniline (PubChem CID 164564121) has the molecular formula C9H14NOP and a molecular weight of 183.19 g/mol. Its IUPAC name is 2-dimethylphosphanyl-4-methoxyaniline.

Molecular Properties

Compound Name2-dimethylphosphanyl-4-methoxyaniline
PubChem CID164564121
Molecular FormulaC9H14NOP
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name2-dimethylphosphanyl-4-methoxyaniline
SMILESCOc1ccc(N)c(P(C)C)c1
InChIInChI=1S/C9H14NOP/c1-11-7-4-5-8(10)9(6-7)12(2)3/h4-6H,10H2,1-3H3
InChIKeyLZHAFMFRBWCRBC-UHFFFAOYSA-N
XLogP1.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-methoxyaniline
CID 3756383
2-methanimidoyl-4-methoxyaniline
CID 91224663
4-methoxy-2-(methylideneamino)aniline
CID 163228388
4-methoxy-2-(trifluoromethyl)aniline
CID 22601721
2-(difluoromethyl)-4-methoxyaniline
CID 45091134
2-iodo-5-methoxyaniline
CID 11139508
2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline
CID 115413765
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
4-methoxy-2-trimethylsilyloxyaniline
CID 167737964
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
2-[1-(dimethylamino)ethoxy]-4-methoxyaniline
CID 18980088
2-amino-5-methoxybenzamide;ethane
CID 142071126

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphanyl-4-methoxyaniline?
The IUPAC name of 2-dimethylphosphanyl-4-methoxyaniline (CID 164564121) is 2-dimethylphosphanyl-4-methoxyaniline.
What is the SMILES notation for 2-dimethylphosphanyl-4-methoxyaniline?
The canonical SMILES for 2-dimethylphosphanyl-4-methoxyaniline is COc1ccc(N)c(P(C)C)c1.
What is the InChIKey of 2-dimethylphosphanyl-4-methoxyaniline?
The InChIKey is LZHAFMFRBWCRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NOP/c1-11-7-4-5-8(10)9(6-7)12(2)3/h4-6H,10H2,1-3H3.
What are the key properties of 2-dimethylphosphanyl-4-methoxyaniline?
2-dimethylphosphanyl-4-methoxyaniline has a molecular weight of 183.19 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphanyl-4-methoxyaniline is sourced from PubChem (CID 164564121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).