2-bromo-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline

C14H15BrNO3P — CID 11861035

IUPAC2-bromo-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline
SMILESCOc1ccccc1O[P@](C)(=O)Nc1ccccc1Br
InChIInChI=1S/C14H15BrNO3P/c1-18-13-9-5-6-10-14(13)19-20(2,17)16-12-8-4-3-7-11(12)15/h3-10H,1-2H3,(H,16,17)/t20-/m0/s1
InChIKeyZCLCHGKTKOATKL-FQEVSTJZSA-N
MW356.16 g/mol
LogP4.77
Rot. Bonds5

About 2-bromo-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline

2-bromo-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline (PubChem CID 11861035) has the molecular formula C14H15BrNO3P and a molecular weight of 356.16 g/mol. Its IUPAC name is 2-bromo-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline.

Molecular Properties

Compound Name2-bromo-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline
PubChem CID11861035
Molecular FormulaC14H15BrNO3P
Molecular Weight356.16 g/mol
Exact Mass355.00
IUPAC Name2-bromo-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline
SMILESCOc1ccccc1O[P@](C)(=O)Nc1ccccc1Br
InChIInChI=1S/C14H15BrNO3P/c1-18-13-9-5-6-10-14(13)19-20(2,17)16-12-8-4-3-7-11(12)15/h3-10H,1-2H3,(H,16,17)/t20-/m0/s1
InChIKeyZCLCHGKTKOATKL-FQEVSTJZSA-N
XLogP4.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.16
LogP ≤ 54.77
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

5-chloro-N-[(2-methoxyphenoxy)-methylphosphoryl]-2-methylaniline
CID 11860175
N-[(2-methoxyphenoxy)-methylphosphoryl]-3,4-dimethylaniline
CID 11864159
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
chloro-(2-methoxyphenoxy)phosphinic acid
CID 88749959
1-bromo-2-methoxybenzene;ethane
CID 91096433
N-(2-bromophenyl)-2-fluoro-6-methoxybenzamide
CID 65432090
4-[[(2-methoxyphenoxy)-methylphosphoryl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 659555
1-(2-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892327
2-amino-6-bromo-N-(2-methoxyphenyl)benzamide
CID 118386970
N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3270628
azane;1,2-dimethoxybenzene
CID 174437926

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline?
The IUPAC name of 2-bromo-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline (CID 11861035) is 2-bromo-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline.
What is the SMILES notation for 2-bromo-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline?
The canonical SMILES for 2-bromo-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline is COc1ccccc1O[P@](C)(=O)Nc1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline?
The InChIKey is ZCLCHGKTKOATKL-FQEVSTJZSA-N. The full InChI is InChI=1S/C14H15BrNO3P/c1-18-13-9-5-6-10-14(13)19-20(2,17)16-12-8-4-3-7-11(12)15/h3-10H,1-2H3,(H,16,17)/t20-/m0/s1.
What are the key properties of 2-bromo-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline?
2-bromo-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline has a molecular weight of 356.16 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-methoxyphenoxy)-methylphosphoryl]aniline is sourced from PubChem (CID 11861035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).