N-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine

C21H22NO2P — CID 10882664

IUPACN-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCP(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H22NO2P/c1-24-19-14-12-18(13-15-19)16-22-17-25(23,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22H,16-17H2,1H3
InChIKeyZBYXDMUWWTYLCE-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.76
Rot. Bonds7

About N-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine

N-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine (PubChem CID 10882664) has the molecular formula C21H22NO2P and a molecular weight of 351.39 g/mol. Its IUPAC name is N-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine
PubChem CID10882664
Molecular FormulaC21H22NO2P
Molecular Weight351.39 g/mol
Exact Mass351.14
IUPAC NameN-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCP(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H22NO2P/c1-24-19-14-12-18(13-15-19)16-22-17-25(23,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22H,16-17H2,1H3
InChIKeyZBYXDMUWWTYLCE-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.76
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

1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
(1R,2R)-N-diphenylphosphoryl-N'-[(4-methoxyphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 163522190
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
1-methoxy-4-[[4-[methyl(phenyl)phosphoryl]oxyphenyl]methyl]benzene
CID 59289670
N-(bromomethyl)-1-(4-methoxyphenyl)methanamine
CID 115261836
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 43201033
[4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-methylideneoxidanium
CID 22965611
1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene
CID 175093390

Frequently Asked Questions

What is the IUPAC name of N-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine?
The IUPAC name of N-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine (CID 10882664) is N-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for N-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for N-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine is COc1ccc(CNCP(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine?
The InChIKey is ZBYXDMUWWTYLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22NO2P/c1-24-19-14-12-18(13-15-19)16-22-17-25(23,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22H,16-17H2,1H3.
What are the key properties of N-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine?
N-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine has a molecular weight of 351.39 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 10882664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).