[methylamino(phenyl)methyl]phosphonous acid

C8H12NO2P — CID 177256216

IUPAC[methylamino(phenyl)methyl]phosphonous acid
SMILESCNC(c1ccccc1)P(O)O
InChIInChI=1S/C8H12NO2P/c1-9-8(12(10)11)7-5-3-2-4-6-7/h2-6,8-11H,1H3
InChIKeyKHKUWADABUDSKK-UHFFFAOYSA-N
MW185.16 g/mol
LogP1.20
Rot. Bonds3

About [methylamino(phenyl)methyl]phosphonous acid

[methylamino(phenyl)methyl]phosphonous acid (PubChem CID 177256216) has the molecular formula C8H12NO2P and a molecular weight of 185.16 g/mol. Its IUPAC name is [methylamino(phenyl)methyl]phosphonous acid.

Molecular Properties

Compound Name[methylamino(phenyl)methyl]phosphonous acid
PubChem CID177256216
Molecular FormulaC8H12NO2P
Molecular Weight185.16 g/mol
Exact Mass185.06
IUPAC Name[methylamino(phenyl)methyl]phosphonous acid
SMILESCNC(c1ccccc1)P(O)O
InChIInChI=1S/C8H12NO2P/c1-9-8(12(10)11)7-5-3-2-4-6-7/h2-6,8-11H,1H3
InChIKeyKHKUWADABUDSKK-UHFFFAOYSA-N
XLogP1.20
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 51.20
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

[(dodecylamino)-phenylmethyl]phosphonous acid
CID 57186743
cyclodecapentaenyl(methylamino)methanol
CID 129203731
1-(benzhydrylamino)ethylphosphonous acid
CID 21325890
N-methyl-2-(methylamino)-2-phenylacetamide
CID 3738076
(1S,2R)-1-(methylamino)-2-phenylpropan-1-ol
CID 173329938
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
N,N'-dimethyl-2,3-diphenylbutanediamide
CID 15634660
[amino(phenyl)methyl]phosphonous acid
CID 11975873
ethane;N-methyl-1-phenylethanamine
CID 91444453
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
CID 67711321
(1S)-1-(methylamino)-1-phenylpropan-2-one
CID 59960222
copper;(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 90401537

Frequently Asked Questions

What is the IUPAC name of [methylamino(phenyl)methyl]phosphonous acid?
The IUPAC name of [methylamino(phenyl)methyl]phosphonous acid (CID 177256216) is [methylamino(phenyl)methyl]phosphonous acid.
What is the SMILES notation for [methylamino(phenyl)methyl]phosphonous acid?
The canonical SMILES for [methylamino(phenyl)methyl]phosphonous acid is CNC(c1ccccc1)P(O)O.
What is the InChIKey of [methylamino(phenyl)methyl]phosphonous acid?
The InChIKey is KHKUWADABUDSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO2P/c1-9-8(12(10)11)7-5-3-2-4-6-7/h2-6,8-11H,1H3.
What are the key properties of [methylamino(phenyl)methyl]phosphonous acid?
[methylamino(phenyl)methyl]phosphonous acid has a molecular weight of 185.16 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methylamino(phenyl)methyl]phosphonous acid is sourced from PubChem (CID 177256216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).