[amino-(4-phenylphenyl)methyl]phosphonic acid

C13H14NO3P — CID 4568933

IUPAC[amino-(4-phenylphenyl)methyl]phosphonic acid
SMILESNC(c1ccc(-c2ccccc2)cc1)P(=O)(O)O
InChIInChI=1S/C13H14NO3P/c14-13(18(15,16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H,14H2,(H2,15,16,17)
InChIKeyZRDKCKVHKCTBQY-UHFFFAOYSA-N
MW263.23 g/mol
LogP2.49
Rot. Bonds3

About [amino-(4-phenylphenyl)methyl]phosphonic acid

[amino-(4-phenylphenyl)methyl]phosphonic acid (PubChem CID 4568933) has the molecular formula C13H14NO3P and a molecular weight of 263.23 g/mol. Its IUPAC name is [amino-(4-phenylphenyl)methyl]phosphonic acid.

Molecular Properties

Compound Name[amino-(4-phenylphenyl)methyl]phosphonic acid
PubChem CID4568933
Molecular FormulaC13H14NO3P
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name[amino-(4-phenylphenyl)methyl]phosphonic acid
SMILESNC(c1ccc(-c2ccccc2)cc1)P(=O)(O)O
InChIInChI=1S/C13H14NO3P/c14-13(18(15,16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H,14H2,(H2,15,16,17)
InChIKeyZRDKCKVHKCTBQY-UHFFFAOYSA-N
XLogP2.49
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride
CID 138987682
[amino-(4-fluorophenyl)methyl]phosphonic acid
CID 15255733
[amino-[3-[amino(phosphono)methyl]phenyl]methyl]phosphonic acid
CID 15183155
[amino-[4-(diaminomethylideneamino)phenyl]methyl]phosphonic acid
CID 71734417
dimethylphosphoryl(phenyl)methanamine;hydrochloride
CID 155819704
diphenylmethanamine;phosphoric acid
CID 67153031
[(R)-amino-(3,4-dichlorophenyl)methyl]phosphonic acid
CID 11086348
2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid
CID 66207160
(1S)-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 54594942
chloro-(4-phenylphenyl)phosphinic acid
CID 121303407
[hydroxy-(3-phenylphenyl)methyl]phosphonic acid
CID 117062320
[(S)-amino-(2-chlorophenyl)methyl]phosphonic acid
CID 101067310

Frequently Asked Questions

What is the IUPAC name of [amino-(4-phenylphenyl)methyl]phosphonic acid?
The IUPAC name of [amino-(4-phenylphenyl)methyl]phosphonic acid (CID 4568933) is [amino-(4-phenylphenyl)methyl]phosphonic acid.
What is the SMILES notation for [amino-(4-phenylphenyl)methyl]phosphonic acid?
The canonical SMILES for [amino-(4-phenylphenyl)methyl]phosphonic acid is NC(c1ccc(-c2ccccc2)cc1)P(=O)(O)O.
What is the InChIKey of [amino-(4-phenylphenyl)methyl]phosphonic acid?
The InChIKey is ZRDKCKVHKCTBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14NO3P/c14-13(18(15,16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H,14H2,(H2,15,16,17).
What are the key properties of [amino-(4-phenylphenyl)methyl]phosphonic acid?
[amino-(4-phenylphenyl)methyl]phosphonic acid has a molecular weight of 263.23 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(4-phenylphenyl)methyl]phosphonic acid is sourced from PubChem (CID 4568933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).