N-[[2-(chloromethyl)phenyl]-methylphosphoryl]-4-methoxyaniline

C15H17ClNO2P — CID 12722696

IUPACN-[[2-(chloromethyl)phenyl]-methylphosphoryl]-4-methoxyaniline
SMILESCOc1ccc(NP(C)(=O)c2ccccc2CCl)cc1
InChIInChI=1S/C15H17ClNO2P/c1-19-14-9-7-13(8-10-14)17-20(2,18)15-6-4-3-5-12(15)11-16/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyNYEQXIMUAPAAIT-UHFFFAOYSA-N
MW309.73 g/mol
LogP4.08
Rot. Bonds5

About N-[[2-(chloromethyl)phenyl]-methylphosphoryl]-4-methoxyaniline

N-[[2-(chloromethyl)phenyl]-methylphosphoryl]-4-methoxyaniline (PubChem CID 12722696) has the molecular formula C15H17ClNO2P and a molecular weight of 309.73 g/mol. Its IUPAC name is N-[[2-(chloromethyl)phenyl]-methylphosphoryl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[[2-(chloromethyl)phenyl]-methylphosphoryl]-4-methoxyaniline
PubChem CID12722696
Molecular FormulaC15H17ClNO2P
Molecular Weight309.73 g/mol
Exact Mass309.07
IUPAC NameN-[[2-(chloromethyl)phenyl]-methylphosphoryl]-4-methoxyaniline
SMILESCOc1ccc(NP(C)(=O)c2ccccc2CCl)cc1
InChIInChI=1S/C15H17ClNO2P/c1-19-14-9-7-13(8-10-14)17-20(2,18)15-6-4-3-5-12(15)11-16/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyNYEQXIMUAPAAIT-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[chloro(trichloromethyl)phosphoryl]-4-methoxyaniline
CID 3263552
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
N-(4-methoxyphenyl)-2-(2-methylphenyl)acetamide
CID 6467093
4-methoxy-2-methyl-1-[methyl(phenyl)phosphoryl]benzene
CID 14790520
2-(2-bromophenyl)-N-(4-methoxyphenyl)acetamide
CID 51057355
2-[2-[(4-methoxybenzoyl)amino]phenyl]acetic acid
CID 62535136
anisole;[methoxy(methyl)phosphoryl]oxymethane
CID 175280701
N-(2-ethylphenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108968210
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine
CID 71676353
N-(4-methoxyphenyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407019
2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 16782068

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)phenyl]-methylphosphoryl]-4-methoxyaniline?
The IUPAC name of N-[[2-(chloromethyl)phenyl]-methylphosphoryl]-4-methoxyaniline (CID 12722696) is N-[[2-(chloromethyl)phenyl]-methylphosphoryl]-4-methoxyaniline.
What is the SMILES notation for N-[[2-(chloromethyl)phenyl]-methylphosphoryl]-4-methoxyaniline?
The canonical SMILES for N-[[2-(chloromethyl)phenyl]-methylphosphoryl]-4-methoxyaniline is COc1ccc(NP(C)(=O)c2ccccc2CCl)cc1.
What is the InChIKey of N-[[2-(chloromethyl)phenyl]-methylphosphoryl]-4-methoxyaniline?
The InChIKey is NYEQXIMUAPAAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClNO2P/c1-19-14-9-7-13(8-10-14)17-20(2,18)15-6-4-3-5-12(15)11-16/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-[[2-(chloromethyl)phenyl]-methylphosphoryl]-4-methoxyaniline?
N-[[2-(chloromethyl)phenyl]-methylphosphoryl]-4-methoxyaniline has a molecular weight of 309.73 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)phenyl]-methylphosphoryl]-4-methoxyaniline is sourced from PubChem (CID 12722696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).