3-[[4-(2-phenylphenyl)phenyl]methylamino]propylphosphonic acid

C22H24NO3P — CID 10287244

IUPAC3-[[4-(2-phenylphenyl)phenyl]methylamino]propylphosphonic acid
SMILESO=P(O)(O)CCCNCc1ccc(-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C22H24NO3P/c24-27(25,26)16-6-15-23-17-18-11-13-20(14-12-18)22-10-5-4-9-21(22)19-7-2-1-3-8-19/h1-5,7-14,23H,6,15-17H2,(H2,24,25,26)
InChIKeyNGDONZQSUFNSSF-UHFFFAOYSA-N
MW381.41 g/mol
LogP4.68
Rot. Bonds8

About 3-[[4-(2-phenylphenyl)phenyl]methylamino]propylphosphonic acid

3-[[4-(2-phenylphenyl)phenyl]methylamino]propylphosphonic acid (PubChem CID 10287244) has the molecular formula C22H24NO3P and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-[[4-(2-phenylphenyl)phenyl]methylamino]propylphosphonic acid.

Molecular Properties

Compound Name3-[[4-(2-phenylphenyl)phenyl]methylamino]propylphosphonic acid
PubChem CID10287244
Molecular FormulaC22H24NO3P
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name3-[[4-(2-phenylphenyl)phenyl]methylamino]propylphosphonic acid
SMILESO=P(O)(O)CCCNCc1ccc(-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C22H24NO3P/c24-27(25,26)16-6-15-23-17-18-11-13-20(14-12-18)22-10-5-4-9-21(22)19-7-2-1-3-8-19/h1-5,7-14,23H,6,15-17H2,(H2,24,25,26)
InChIKeyNGDONZQSUFNSSF-UHFFFAOYSA-N
XLogP4.68
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine
CID 10273675
4-[(2-phosphonoethylamino)methyl]benzoic acid
CID 154020772
3-[[4-[5-(1-phenylcyclopentyl)pentyl]phenyl]methylamino]propylphosphonic acid
CID 78323292
3-[[4-[5-[(Z)-2-phenylhex-1-enyl]-1,3,4-oxadiazol-2-yl]phenyl]methylamino]propylphosphonic acid
CID 118078778
3-[[4-[5-(2-phenylhexyl)-1,3,4-oxadiazol-2-yl]phenyl]methylamino]propylphosphonic acid
CID 118239109
3-[[4-[5-[(Z)-2-phenylhept-1-enyl]-1,3,4-oxadiazol-2-yl]phenyl]methylamino]propylphosphonic acid
CID 118078779
3-[(4-nonanoylphenyl)methylamino]propylphosphonic acid
CID 10172513
3-[[4-(octoxymethyl)phenyl]methylamino]propylphosphonic acid
CID 10287092
4-[[4-(2-methoxyphenyl)phenyl]methylamino]butanoic acid
CID 122035871
3-[[3-chloro-4-[5-(1-phenylcyclohexyl)pentyl]phenyl]methylamino]propylphosphonic acid
CID 78324241
N-[(4-phenylphenyl)methyl]pent-4-yn-1-amine
CID 103701650
4-(benzylcarbamoylamino)butylphosphonic acid
CID 167094446

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-phenylphenyl)phenyl]methylamino]propylphosphonic acid?
The IUPAC name of 3-[[4-(2-phenylphenyl)phenyl]methylamino]propylphosphonic acid (CID 10287244) is 3-[[4-(2-phenylphenyl)phenyl]methylamino]propylphosphonic acid.
What is the SMILES notation for 3-[[4-(2-phenylphenyl)phenyl]methylamino]propylphosphonic acid?
The canonical SMILES for 3-[[4-(2-phenylphenyl)phenyl]methylamino]propylphosphonic acid is O=P(O)(O)CCCNCc1ccc(-c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 3-[[4-(2-phenylphenyl)phenyl]methylamino]propylphosphonic acid?
The InChIKey is NGDONZQSUFNSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NO3P/c24-27(25,26)16-6-15-23-17-18-11-13-20(14-12-18)22-10-5-4-9-21(22)19-7-2-1-3-8-19/h1-5,7-14,23H,6,15-17H2,(H2,24,25,26).
What are the key properties of 3-[[4-(2-phenylphenyl)phenyl]methylamino]propylphosphonic acid?
3-[[4-(2-phenylphenyl)phenyl]methylamino]propylphosphonic acid has a molecular weight of 381.41 g/mol, XLogP of 4.68, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-phenylphenyl)phenyl]methylamino]propylphosphonic acid is sourced from PubChem (CID 10287244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).