N-[(2-chlorophenyl)-dimethoxyphosphorylmethyl]-4-methylaniline

C16H19ClNO3P — CID 102204724

IUPACN-[(2-chlorophenyl)-dimethoxyphosphorylmethyl]-4-methylaniline
SMILESCOP(=O)(OC)C(Nc1ccc(C)cc1)c1ccccc1Cl
InChIInChI=1S/C16H19ClNO3P/c1-12-8-10-13(11-9-12)18-16(22(19,20-2)21-3)14-6-4-5-7-15(14)17/h4-11,16,18H,1-3H3
InChIKeyAMJVYRNQMHPPGG-UHFFFAOYSA-N
MW339.76 g/mol
LogP5.25
Rot. Bonds6

About N-[(2-chlorophenyl)-dimethoxyphosphorylmethyl]-4-methylaniline

N-[(2-chlorophenyl)-dimethoxyphosphorylmethyl]-4-methylaniline (PubChem CID 102204724) has the molecular formula C16H19ClNO3P and a molecular weight of 339.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-dimethoxyphosphorylmethyl]-4-methylaniline.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-dimethoxyphosphorylmethyl]-4-methylaniline
PubChem CID102204724
Molecular FormulaC16H19ClNO3P
Molecular Weight339.76 g/mol
Exact Mass339.08
IUPAC NameN-[(2-chlorophenyl)-dimethoxyphosphorylmethyl]-4-methylaniline
SMILESCOP(=O)(OC)C(Nc1ccc(C)cc1)c1ccccc1Cl
InChIInChI=1S/C16H19ClNO3P/c1-12-8-10-13(11-9-12)18-16(22(19,20-2)21-3)14-6-4-5-7-15(14)17/h4-11,16,18H,1-3H3
InChIKeyAMJVYRNQMHPPGG-UHFFFAOYSA-N
XLogP5.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.76
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(R)-dimethoxyphosphoryl-(2-nitrophenyl)methyl]aniline
CID 7369569
2-(2-chlorophenyl)-2-dimethoxyphosphorylacetaldehyde
CID 88599323
N-[dimethoxyphosphoryl(phenyl)methyl]-4-ethoxyaniline
CID 630631
4-[(4-chloroanilino)-dimethoxyphosphorylmethyl]phenol
CID 46939615
methyl 2-[[(2-chlorophenyl)-(4-methylphenyl)methyl]amino]acetate
CID 132517124
[chloro-(2-chlorophenyl)methyl] dimethyl phosphate
CID 20511059
N-[dimethoxyphosphoryl(phenyl)methyl]-2,5-dimethylaniline
CID 3093271
N-[dimethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)aniline
CID 11575500
methyl (E)-3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]prop-2-enoate
CID 103260159
methyl 4-[[di(propan-2-yloxy)phosphoryl-(2-methoxyphenyl)methyl]amino]benzoate
CID 21210999
N-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 71663028
N-[dimethoxyphosphoryl-(2-fluorophenyl)methyl]-5-methyl-1,2-oxazol-3-amine
CID 11551400

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-dimethoxyphosphorylmethyl]-4-methylaniline?
The IUPAC name of N-[(2-chlorophenyl)-dimethoxyphosphorylmethyl]-4-methylaniline (CID 102204724) is N-[(2-chlorophenyl)-dimethoxyphosphorylmethyl]-4-methylaniline.
What is the SMILES notation for N-[(2-chlorophenyl)-dimethoxyphosphorylmethyl]-4-methylaniline?
The canonical SMILES for N-[(2-chlorophenyl)-dimethoxyphosphorylmethyl]-4-methylaniline is COP(=O)(OC)C(Nc1ccc(C)cc1)c1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)-dimethoxyphosphorylmethyl]-4-methylaniline?
The InChIKey is AMJVYRNQMHPPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClNO3P/c1-12-8-10-13(11-9-12)18-16(22(19,20-2)21-3)14-6-4-5-7-15(14)17/h4-11,16,18H,1-3H3.
What are the key properties of N-[(2-chlorophenyl)-dimethoxyphosphorylmethyl]-4-methylaniline?
N-[(2-chlorophenyl)-dimethoxyphosphorylmethyl]-4-methylaniline has a molecular weight of 339.76 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-dimethoxyphosphorylmethyl]-4-methylaniline is sourced from PubChem (CID 102204724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).