N-[(4-chlorophenoxy)-methylphosphoryl]-4-methylaniline

C14H15ClNO2P — CID 11860048

IUPACN-[(4-chlorophenoxy)-methylphosphoryl]-4-methylaniline
SMILESCc1ccc(N[P@@](C)(=O)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H15ClNO2P/c1-11-3-7-13(8-4-11)16-19(2,17)18-14-9-5-12(15)6-10-14/h3-10H,1-2H3,(H,16,17)/t19-/m0/s1
InChIKeyCRIHEPUUGJDLSP-IBGZPJMESA-N
MW295.71 g/mol
LogP4.96
Rot. Bonds4

About N-[(4-chlorophenoxy)-methylphosphoryl]-4-methylaniline

N-[(4-chlorophenoxy)-methylphosphoryl]-4-methylaniline (PubChem CID 11860048) has the molecular formula C14H15ClNO2P and a molecular weight of 295.71 g/mol. Its IUPAC name is N-[(4-chlorophenoxy)-methylphosphoryl]-4-methylaniline.

Molecular Properties

Compound NameN-[(4-chlorophenoxy)-methylphosphoryl]-4-methylaniline
PubChem CID11860048
Molecular FormulaC14H15ClNO2P
Molecular Weight295.71 g/mol
Exact Mass295.05
IUPAC NameN-[(4-chlorophenoxy)-methylphosphoryl]-4-methylaniline
SMILESCc1ccc(N[P@@](C)(=O)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H15ClNO2P/c1-11-3-7-13(8-4-11)16-19(2,17)18-14-9-5-12(15)6-10-14/h3-10H,1-2H3,(H,16,17)/t19-/m0/s1
InChIKeyCRIHEPUUGJDLSP-IBGZPJMESA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.71
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenoxy)-methylphosphoryl]-4-propan-2-yloxyaniline
CID 11860033
N-[(4-chlorophenoxy)-(2,2,2-trifluoroethoxy)phosphoryl]-4-methylaniline
CID 11862866
4-ethyl-N-[(4-ethylphenoxy)-methylphosphoryl]aniline
CID 11860169
N-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline
CID 2313149
4-bromo-N-[methyl(phenoxy)phosphoryl]aniline
CID 11864281
N-bis(4-methylphenoxy)phosphoryl-4-bromoaniline
CID 2067688
methyl 2-[[(4-chlorophenoxy)-methylphosphoryl]amino]-2-methylpropanoate
CID 143327879
ethyl (2S)-2-[[(4-chlorophenoxy)-methylphosphoryl]amino]propanoate
CID 59483411
N-[chloro-(4-methylphenoxy)phosphoryl]-N-methylmethanamine
CID 10585736
N-[chloro-(4-chlorophenoxy)phosphoryl]methanamine
CID 143327025
CID 67928069
CID 67928069
alumane;tris(4-methylphenyl) phosphate
CID 174515145

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenoxy)-methylphosphoryl]-4-methylaniline?
The IUPAC name of N-[(4-chlorophenoxy)-methylphosphoryl]-4-methylaniline (CID 11860048) is N-[(4-chlorophenoxy)-methylphosphoryl]-4-methylaniline.
What is the SMILES notation for N-[(4-chlorophenoxy)-methylphosphoryl]-4-methylaniline?
The canonical SMILES for N-[(4-chlorophenoxy)-methylphosphoryl]-4-methylaniline is Cc1ccc(N[P@@](C)(=O)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenoxy)-methylphosphoryl]-4-methylaniline?
The InChIKey is CRIHEPUUGJDLSP-IBGZPJMESA-N. The full InChI is InChI=1S/C14H15ClNO2P/c1-11-3-7-13(8-4-11)16-19(2,17)18-14-9-5-12(15)6-10-14/h3-10H,1-2H3,(H,16,17)/t19-/m0/s1.
What are the key properties of N-[(4-chlorophenoxy)-methylphosphoryl]-4-methylaniline?
N-[(4-chlorophenoxy)-methylphosphoryl]-4-methylaniline has a molecular weight of 295.71 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenoxy)-methylphosphoryl]-4-methylaniline is sourced from PubChem (CID 11860048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).