N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine

C21H22NOP — CID 72834270

IUPACN-diphenylphosphoryl-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NP(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H22NOP/c1-17-13-15-19(16-14-17)18(2)22-24(23,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18H,1-2H3,(H,22,23)
InChIKeyTVNUHJHYMDNSRE-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.57
Rot. Bonds5

About N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine

N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine (PubChem CID 72834270) has the molecular formula C21H22NOP and a molecular weight of 335.39 g/mol. Its IUPAC name is N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-diphenylphosphoryl-1-(4-methylphenyl)ethanamine
PubChem CID72834270
Molecular FormulaC21H22NOP
Molecular Weight335.39 g/mol
Exact Mass335.14
IUPAC NameN-diphenylphosphoryl-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NP(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H22NOP/c1-17-13-15-19(16-14-17)18(2)22-24(23,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18H,1-2H3,(H,22,23)
InChIKeyTVNUHJHYMDNSRE-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-diphenylphosphoryl-1-(3-methylphenyl)ethanamine
CID 101267694
2-(diphenylphosphorylamino)-2-(4-methylphenyl)-1-phenylethanone
CID 101360122
(1R)-N-diphenylphosphoryl-1-(4-methylphenyl)-2-nitroethanamine
CID 101018797
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene
CID 100916039
diphenylphosphoryl-(4-methylphenyl)methanol
CID 135058741
(E)-N-diphenylphosphoryl-1-(4-methylphenyl)pent-1-en-3-amine
CID 10809475
N-diphenylphosphoryl-2-nitro-1-phenylpropan-1-amine
CID 72811858
(5R)-5-[(S)-(diphenylphosphorylamino)-(4-methylphenyl)methyl]-5-(2-methylpropyl)-2-phenyl-1,3-oxazol-4-one
CID 102293777
2-(diphenylphosphorylamino)-3-methylbutan-1-ol
CID 23241768
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
CID 23420726

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine (CID 72834270) is N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine is Cc1ccc(C(C)NP(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine?
The InChIKey is TVNUHJHYMDNSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22NOP/c1-17-13-15-19(16-14-17)18(2)22-24(23,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,18H,1-2H3,(H,22,23).
What are the key properties of N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine?
N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine has a molecular weight of 335.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 72834270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).