5-chloro-N-[(2-methoxyphenoxy)-methylphosphoryl]-2-methylaniline

C15H17ClNO3P — CID 11860175

IUPAC5-chloro-N-[(2-methoxyphenoxy)-methylphosphoryl]-2-methylaniline
SMILESCOc1ccccc1O[P@](C)(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C15H17ClNO3P/c1-11-8-9-12(16)10-13(11)17-21(3,18)20-15-7-5-4-6-14(15)19-2/h4-10H,1-3H3,(H,17,18)/t21-/m0/s1
InChIKeyLAUXOQQIVLLHOY-NRFANRHFSA-N
MW325.73 g/mol
LogP4.97
Rot. Bonds5

About 5-chloro-N-[(2-methoxyphenoxy)-methylphosphoryl]-2-methylaniline

5-chloro-N-[(2-methoxyphenoxy)-methylphosphoryl]-2-methylaniline (PubChem CID 11860175) has the molecular formula C15H17ClNO3P and a molecular weight of 325.73 g/mol. Its IUPAC name is 5-chloro-N-[(2-methoxyphenoxy)-methylphosphoryl]-2-methylaniline.

Molecular Properties

Compound Name5-chloro-N-[(2-methoxyphenoxy)-methylphosphoryl]-2-methylaniline
PubChem CID11860175
Molecular FormulaC15H17ClNO3P
Molecular Weight325.73 g/mol
Exact Mass325.06
IUPAC Name5-chloro-N-[(2-methoxyphenoxy)-methylphosphoryl]-2-methylaniline
SMILESCOc1ccccc1O[P@](C)(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C15H17ClNO3P/c1-11-8-9-12(16)10-13(11)17-21(3,18)20-15-7-5-4-6-14(15)19-2/h4-10H,1-3H3,(H,17,18)/t21-/m0/s1
InChIKeyLAUXOQQIVLLHOY-NRFANRHFSA-N
XLogP4.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.73
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline
CID 11861035
5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43755227
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756
N-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 893841
N-bis(4-chlorophenoxy)phosphoryl-5-chloro-2-methoxyaniline
CID 2066688
N-(5-chloro-2-methylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358391
5-(5-chloro-2-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293027
2-(4-chloro-2-methylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 2545386
chloro-(2-methoxyphenoxy)phosphinic acid
CID 88749959
N-(5-chloro-2-methylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide
CID 109244720
N-(5-chloro-2-methylphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78770477
1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 970503

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methoxyphenoxy)-methylphosphoryl]-2-methylaniline?
The IUPAC name of 5-chloro-N-[(2-methoxyphenoxy)-methylphosphoryl]-2-methylaniline (CID 11860175) is 5-chloro-N-[(2-methoxyphenoxy)-methylphosphoryl]-2-methylaniline.
What is the SMILES notation for 5-chloro-N-[(2-methoxyphenoxy)-methylphosphoryl]-2-methylaniline?
The canonical SMILES for 5-chloro-N-[(2-methoxyphenoxy)-methylphosphoryl]-2-methylaniline is COc1ccccc1O[P@](C)(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of 5-chloro-N-[(2-methoxyphenoxy)-methylphosphoryl]-2-methylaniline?
The InChIKey is LAUXOQQIVLLHOY-NRFANRHFSA-N. The full InChI is InChI=1S/C15H17ClNO3P/c1-11-8-9-12(16)10-13(11)17-21(3,18)20-15-7-5-4-6-14(15)19-2/h4-10H,1-3H3,(H,17,18)/t21-/m0/s1.
What are the key properties of 5-chloro-N-[(2-methoxyphenoxy)-methylphosphoryl]-2-methylaniline?
5-chloro-N-[(2-methoxyphenoxy)-methylphosphoryl]-2-methylaniline has a molecular weight of 325.73 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methoxyphenoxy)-methylphosphoryl]-2-methylaniline is sourced from PubChem (CID 11860175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).