formaldehyde;phenylmethanamine;phosphorous acid

C8H14NO4P — CID 161481054

IUPACformaldehyde;phenylmethanamine;phosphorous acid
SMILESC=O.NCc1ccccc1.OP(O)O
InChIInChI=1S/C7H9N.CH2O.H3O3P/c8-6-7-4-2-1-3-5-7;1-2;1-4(2)3/h1-5H,6,8H2;1H2;1-3H
InChIKeyWEIXOTJUQCLFNC-UHFFFAOYSA-N
MW219.18 g/mol
LogP0.15
Rot. Bonds1

About formaldehyde;phenylmethanamine;phosphorous acid

formaldehyde;phenylmethanamine;phosphorous acid (PubChem CID 161481054) has the molecular formula C8H14NO4P and a molecular weight of 219.18 g/mol. Its IUPAC name is formaldehyde;phenylmethanamine;phosphorous acid.

Molecular Properties

Compound Nameformaldehyde;phenylmethanamine;phosphorous acid
PubChem CID161481054
Molecular FormulaC8H14NO4P
Molecular Weight219.18 g/mol
Exact Mass219.07
IUPAC Nameformaldehyde;phenylmethanamine;phosphorous acid
SMILESC=O.NCc1ccccc1.OP(O)O
InChIInChI=1S/C7H9N.CH2O.H3O3P/c8-6-7-4-2-1-3-5-7;1-2;1-4(2)3/h1-5H,6,8H2;1H2;1-3H
InChIKeyWEIXOTJUQCLFNC-UHFFFAOYSA-N
XLogP0.15
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.18
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phenylmethanamine
CID 19864074
phenylmethanamine;trihydrobromide
CID 175177372
phenylmethanamine;dodecahydrobromide
CID 175510511
phenylmethanamine;titanium(2+)
CID 21287655
sodium phenylmethanamine
CID 172793696
carbon dioxide;phenylmethanamine
CID 123245363
CID 174688914
CID 174688914
phenylmethanamine;prop-2-enoic acid;hydrochloride
CID 174938765
difluoromethane;phenylmethanamine
CID 156875485
ethane;phenylmethanamine;vanadium
CID 158602574
oxygen(2-);phenylmethanamine;vanadium;hydroxide
CID 11715324
2,2-dimethylpropane;phenylmethanamine
CID 158787980

Frequently Asked Questions

What is the IUPAC name of formaldehyde;phenylmethanamine;phosphorous acid?
The IUPAC name of formaldehyde;phenylmethanamine;phosphorous acid (CID 161481054) is formaldehyde;phenylmethanamine;phosphorous acid.
What is the SMILES notation for formaldehyde;phenylmethanamine;phosphorous acid?
The canonical SMILES for formaldehyde;phenylmethanamine;phosphorous acid is C=O.NCc1ccccc1.OP(O)O.
What is the InChIKey of formaldehyde;phenylmethanamine;phosphorous acid?
The InChIKey is WEIXOTJUQCLFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.CH2O.H3O3P/c8-6-7-4-2-1-3-5-7;1-2;1-4(2)3/h1-5H,6,8H2;1H2;1-3H.
What are the key properties of formaldehyde;phenylmethanamine;phosphorous acid?
formaldehyde;phenylmethanamine;phosphorous acid has a molecular weight of 219.18 g/mol, XLogP of 0.15, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;phenylmethanamine;phosphorous acid is sourced from PubChem (CID 161481054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).