1-N-diethoxyphosphoryl-4-N-ethyl-4-N,2-dimethylbenzene-1,4-diamine

C14H25N2O3P — CID 23382952

IUPAC1-N-diethoxyphosphoryl-4-N-ethyl-4-N,2-dimethylbenzene-1,4-diamine
SMILESCCOP(=O)(Nc1ccc(N(C)CC)cc1C)OCC
InChIInChI=1S/C14H25N2O3P/c1-6-16(5)13-9-10-14(12(4)11-13)15-20(17,18-7-2)19-8-3/h9-11H,6-8H2,1-5H3,(H,15,17)
InChIKeySUSYEEDWNIMEPL-UHFFFAOYSA-N
MW300.34 g/mol
LogP4.04
Rot. Bonds8

About 1-N-diethoxyphosphoryl-4-N-ethyl-4-N,2-dimethylbenzene-1,4-diamine

1-N-diethoxyphosphoryl-4-N-ethyl-4-N,2-dimethylbenzene-1,4-diamine (PubChem CID 23382952) has the molecular formula C14H25N2O3P and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-N-diethoxyphosphoryl-4-N-ethyl-4-N,2-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-diethoxyphosphoryl-4-N-ethyl-4-N,2-dimethylbenzene-1,4-diamine
PubChem CID23382952
Molecular FormulaC14H25N2O3P
Molecular Weight300.34 g/mol
Exact Mass300.16
IUPAC Name1-N-diethoxyphosphoryl-4-N-ethyl-4-N,2-dimethylbenzene-1,4-diamine
SMILESCCOP(=O)(Nc1ccc(N(C)CC)cc1C)OCC
InChIInChI=1S/C14H25N2O3P/c1-6-16(5)13-9-10-14(12(4)11-13)15-20(17,18-7-2)19-8-3/h9-11H,6-8H2,1-5H3,(H,15,17)
InChIKeySUSYEEDWNIMEPL-UHFFFAOYSA-N
XLogP4.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-diethoxyphosphoryl-5-methyl-2-phenylaniline
CID 86305405
2-[4-[ethyl(methyl)amino]-2-methylphenyl]sulfinamoyloxy-4-methyl-1-octoxybenzene
CID 20580342
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline
CID 62136200
N-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide
CID 90509599
N-[diethoxyphosphoryl-[4-(dimethylamino)phenyl]methyl]-2-methyl-4-nitroaniline
CID 21210793
N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113098997
N-bis(2,3-dimethylphenoxy)phosphoryl-2,4-dimethylaniline
CID 2313169
ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001689
3,4-dichloro-N-ethyl-N-methylaniline
CID 59726249
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline
CID 115260617

Frequently Asked Questions

What is the IUPAC name of 1-N-diethoxyphosphoryl-4-N-ethyl-4-N,2-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-diethoxyphosphoryl-4-N-ethyl-4-N,2-dimethylbenzene-1,4-diamine (CID 23382952) is 1-N-diethoxyphosphoryl-4-N-ethyl-4-N,2-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-diethoxyphosphoryl-4-N-ethyl-4-N,2-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-diethoxyphosphoryl-4-N-ethyl-4-N,2-dimethylbenzene-1,4-diamine is CCOP(=O)(Nc1ccc(N(C)CC)cc1C)OCC.
What is the InChIKey of 1-N-diethoxyphosphoryl-4-N-ethyl-4-N,2-dimethylbenzene-1,4-diamine?
The InChIKey is SUSYEEDWNIMEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N2O3P/c1-6-16(5)13-9-10-14(12(4)11-13)15-20(17,18-7-2)19-8-3/h9-11H,6-8H2,1-5H3,(H,15,17).
What are the key properties of 1-N-diethoxyphosphoryl-4-N-ethyl-4-N,2-dimethylbenzene-1,4-diamine?
1-N-diethoxyphosphoryl-4-N-ethyl-4-N,2-dimethylbenzene-1,4-diamine has a molecular weight of 300.34 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-diethoxyphosphoryl-4-N-ethyl-4-N,2-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 23382952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).