diphenylmethanamine;phosphoric acid

C13H16NO4P — CID 67153031

IUPACdiphenylmethanamine;phosphoric acid
SMILESNC(c1ccccc1)c1ccccc1.O=P(O)(O)O
InChIInChI=1S/C13H13N.H3O4P/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5(2,3)4/h1-10,13H,14H2;(H3,1,2,3,4)
InChIKeyGAVVYQPGEHFYCB-UHFFFAOYSA-N
MW281.25 g/mol
LogP1.81
Rot. Bonds2

About diphenylmethanamine;phosphoric acid

diphenylmethanamine;phosphoric acid (PubChem CID 67153031) has the molecular formula C13H16NO4P and a molecular weight of 281.25 g/mol. Its IUPAC name is diphenylmethanamine;phosphoric acid.

Molecular Properties

Compound Namediphenylmethanamine;phosphoric acid
PubChem CID67153031
Molecular FormulaC13H16NO4P
Molecular Weight281.25 g/mol
Exact Mass281.08
IUPAC Namediphenylmethanamine;phosphoric acid
SMILESNC(c1ccccc1)c1ccccc1.O=P(O)(O)O
InChIInChI=1S/C13H13N.H3O4P/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5(2,3)4/h1-10,13H,14H2;(H3,1,2,3,4)
InChIKeyGAVVYQPGEHFYCB-UHFFFAOYSA-N
XLogP1.81
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 51.81
H-Bond Donors ≤ 54
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
benzoic acid;diphenylmethanamine
CID 3075109
diphenylmethanamine;methanethiol
CID 143873840
dimethylphosphoryl(phenyl)methanamine;hydrochloride
CID 155819704
(3-amino-3-phenyl-1-phosphonopropyl)phosphonic acid
CID 18757018
(4-fluorophenyl)-phenylmethanamine
CID 11183272
diphenylmethanamine;N-phenylaniline
CID 162045655
dimethylphosphoryl(phenyl)methanol
CID 58658737
[bromo(phenyl)methyl]phosphonic acid
CID 11736830
(S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride
CID 175772829
[(1S)-1-phenylethyl]phosphonic acid
CID 10511745
[4-[ethyl(methoxy)phosphoryl]phenyl]-phenylmethanamine
CID 89462297

Frequently Asked Questions

What is the IUPAC name of diphenylmethanamine;phosphoric acid?
The IUPAC name of diphenylmethanamine;phosphoric acid (CID 67153031) is diphenylmethanamine;phosphoric acid.
What is the SMILES notation for diphenylmethanamine;phosphoric acid?
The canonical SMILES for diphenylmethanamine;phosphoric acid is NC(c1ccccc1)c1ccccc1.O=P(O)(O)O.
What is the InChIKey of diphenylmethanamine;phosphoric acid?
The InChIKey is GAVVYQPGEHFYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.H3O4P/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5(2,3)4/h1-10,13H,14H2;(H3,1,2,3,4).
What are the key properties of diphenylmethanamine;phosphoric acid?
diphenylmethanamine;phosphoric acid has a molecular weight of 281.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanamine;phosphoric acid is sourced from PubChem (CID 67153031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).