[amino(phenyl)methyl]phosphonous acid

C7H10NO2P — CID 11975873

IUPAC[amino(phenyl)methyl]phosphonous acid
SMILESNC(c1ccccc1)P(O)O
InChIInChI=1S/C7H10NO2P/c8-7(11(9)10)6-4-2-1-3-5-6/h1-5,7,9-10H,8H2
InChIKeyTXNXBYNTMPPXHD-UHFFFAOYSA-N
MW171.14 g/mol
LogP0.94
Rot. Bonds2

About [amino(phenyl)methyl]phosphonous acid

[amino(phenyl)methyl]phosphonous acid (PubChem CID 11975873) has the molecular formula C7H10NO2P and a molecular weight of 171.14 g/mol. Its IUPAC name is [amino(phenyl)methyl]phosphonous acid.

Molecular Properties

Compound Name[amino(phenyl)methyl]phosphonous acid
PubChem CID11975873
Molecular FormulaC7H10NO2P
Molecular Weight171.14 g/mol
Exact Mass171.04
IUPAC Name[amino(phenyl)methyl]phosphonous acid
SMILESNC(c1ccccc1)P(O)O
InChIInChI=1S/C7H10NO2P/c8-7(11(9)10)6-4-2-1-3-5-6/h1-5,7,9-10H,8H2
InChIKeyTXNXBYNTMPPXHD-UHFFFAOYSA-N
XLogP0.94
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.14
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1-amino-2-phenylethyl]phosphonous acid
CID 56977439
[methylamino(phenyl)methyl]phosphonous acid
CID 177256216
phenyl(sulfanyl)methanol;phosphorous acid
CID 173449716
(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
CID 11745978
[amino(phenyl)methyl]-triphenylphosphanium
CID 174402804
(1S,2R)-2-amino-1,2-diphenylethanol
CID 719822
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
(2S)-2-amino-3-iodo-3-phenylpropanoic acid
CID 69344520
(1R,2R)-2-amino-1,2-diphenylethanol;hydrochloride
CID 145453159
phenylmethanediamine;sulfuric acid
CID 173298028
diphenylmethanamine;N-phenylaniline
CID 162045655

Frequently Asked Questions

What is the IUPAC name of [amino(phenyl)methyl]phosphonous acid?
The IUPAC name of [amino(phenyl)methyl]phosphonous acid (CID 11975873) is [amino(phenyl)methyl]phosphonous acid.
What is the SMILES notation for [amino(phenyl)methyl]phosphonous acid?
The canonical SMILES for [amino(phenyl)methyl]phosphonous acid is NC(c1ccccc1)P(O)O.
What is the InChIKey of [amino(phenyl)methyl]phosphonous acid?
The InChIKey is TXNXBYNTMPPXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NO2P/c8-7(11(9)10)6-4-2-1-3-5-6/h1-5,7,9-10H,8H2.
What are the key properties of [amino(phenyl)methyl]phosphonous acid?
[amino(phenyl)methyl]phosphonous acid has a molecular weight of 171.14 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(phenyl)methyl]phosphonous acid is sourced from PubChem (CID 11975873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).