N-butyl-4-dimethylphosphoryl-2-methoxyaniline

C13H22NO2P — CID 178009905

IUPACN-butyl-4-dimethylphosphoryl-2-methoxyaniline
SMILESCCCCNc1ccc(P(C)(C)=O)cc1OC
InChIInChI=1S/C13H22NO2P/c1-5-6-9-14-12-8-7-11(17(3,4)15)10-13(12)16-2/h7-8,10,14H,5-6,9H2,1-4H3
InChIKeyRCRLITLICVSYCZ-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.16
Rot. Bonds6

About N-butyl-4-dimethylphosphoryl-2-methoxyaniline

N-butyl-4-dimethylphosphoryl-2-methoxyaniline (PubChem CID 178009905) has the molecular formula C13H22NO2P and a molecular weight of 255.30 g/mol. Its IUPAC name is N-butyl-4-dimethylphosphoryl-2-methoxyaniline.

Molecular Properties

Compound NameN-butyl-4-dimethylphosphoryl-2-methoxyaniline
PubChem CID178009905
Molecular FormulaC13H22NO2P
Molecular Weight255.30 g/mol
Exact Mass255.14
IUPAC NameN-butyl-4-dimethylphosphoryl-2-methoxyaniline
SMILESCCCCNc1ccc(P(C)(C)=O)cc1OC
InChIInChI=1S/C13H22NO2P/c1-5-6-9-14-12-8-7-11(17(3,4)15)10-13(12)16-2/h7-8,10,14H,5-6,9H2,1-4H3
InChIKeyRCRLITLICVSYCZ-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(butylamino)-3-methoxy-N-methylbenzamide
CID 178010173
2,4-dimethoxy-N-pentylaniline
CID 28570496
N-butyl-2-methoxy-4-nitroaniline
CID 43720101
4-(heptylamino)-3-methoxybenzonitrile
CID 104848308
2-(diethylamino)ethyl 4-(butylamino)-3-methoxybenzoate
CID 177300575
4-methoxy-2-methyl-N-nonylaniline
CID 63492120
N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82084110
N'-(2,4-dimethoxyphenyl)butane-1,4-diamine
CID 82114957
1-butyl-3-(4-cyano-2-methoxyphenyl)urea
CID 104844634
4-(3-ethoxypropylamino)-3-methoxybenzonitrile
CID 104848581
ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate
CID 42847243
2-(dimethylamino)ethyl 3-methoxy-4-(octylamino)benzoate
CID 54751925

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-dimethylphosphoryl-2-methoxyaniline?
The IUPAC name of N-butyl-4-dimethylphosphoryl-2-methoxyaniline (CID 178009905) is N-butyl-4-dimethylphosphoryl-2-methoxyaniline.
What is the SMILES notation for N-butyl-4-dimethylphosphoryl-2-methoxyaniline?
The canonical SMILES for N-butyl-4-dimethylphosphoryl-2-methoxyaniline is CCCCNc1ccc(P(C)(C)=O)cc1OC.
What is the InChIKey of N-butyl-4-dimethylphosphoryl-2-methoxyaniline?
The InChIKey is RCRLITLICVSYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22NO2P/c1-5-6-9-14-12-8-7-11(17(3,4)15)10-13(12)16-2/h7-8,10,14H,5-6,9H2,1-4H3.
What are the key properties of N-butyl-4-dimethylphosphoryl-2-methoxyaniline?
N-butyl-4-dimethylphosphoryl-2-methoxyaniline has a molecular weight of 255.30 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-dimethylphosphoryl-2-methoxyaniline is sourced from PubChem (CID 178009905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).