[(dodecylamino)-phenylmethyl]phosphonous acid

C19H34NO2P — CID 57186743

IUPAC[(dodecylamino)-phenylmethyl]phosphonous acid
SMILESCCCCCCCCCCCCNC(c1ccccc1)P(O)O
InChIInChI=1S/C19H34NO2P/c1-2-3-4-5-6-7-8-9-10-14-17-20-19(23(21)22)18-15-12-11-13-16-18/h11-13,15-16,19-22H,2-10,14,17H2,1H3
InChIKeyHZUXNQBZVWUPAV-UHFFFAOYSA-N
MW339.46 g/mol
LogP5.49
Rot. Bonds14

About [(dodecylamino)-phenylmethyl]phosphonous acid

[(dodecylamino)-phenylmethyl]phosphonous acid (PubChem CID 57186743) has the molecular formula C19H34NO2P and a molecular weight of 339.46 g/mol. Its IUPAC name is [(dodecylamino)-phenylmethyl]phosphonous acid.

Molecular Properties

Compound Name[(dodecylamino)-phenylmethyl]phosphonous acid
PubChem CID57186743
Molecular FormulaC19H34NO2P
Molecular Weight339.46 g/mol
Exact Mass339.23
IUPAC Name[(dodecylamino)-phenylmethyl]phosphonous acid
SMILESCCCCCCCCCCCCNC(c1ccccc1)P(O)O
InChIInChI=1S/C19H34NO2P/c1-2-3-4-5-6-7-8-9-10-14-17-20-19(23(21)22)18-15-12-11-13-16-18/h11-13,15-16,19-22H,2-10,14,17H2,1H3
InChIKeyHZUXNQBZVWUPAV-UHFFFAOYSA-N
XLogP5.49
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.46
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzhydryldecan-1-amine
CID 57251579
N-benzhydryloctan-1-amine;hydrate
CID 173441566
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-benzhydrylhexan-1-amine;hydrate
CID 173442267
N-benzhydrylhexan-1-amine;hydrochloride
CID 173426900
N-benzhydryldecan-1-amine;hydrochloride
CID 173427301
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-pentyl-1-phenyldecan-1-amine
CID 10380274
N-dodecyl-1-phenylethane-1,2-diamine
CID 146442827
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
[phenyl-(tridecylamino)methyl]phosphonic acid
CID 134917630

Frequently Asked Questions

What is the IUPAC name of [(dodecylamino)-phenylmethyl]phosphonous acid?
The IUPAC name of [(dodecylamino)-phenylmethyl]phosphonous acid (CID 57186743) is [(dodecylamino)-phenylmethyl]phosphonous acid.
What is the SMILES notation for [(dodecylamino)-phenylmethyl]phosphonous acid?
The canonical SMILES for [(dodecylamino)-phenylmethyl]phosphonous acid is CCCCCCCCCCCCNC(c1ccccc1)P(O)O.
What is the InChIKey of [(dodecylamino)-phenylmethyl]phosphonous acid?
The InChIKey is HZUXNQBZVWUPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34NO2P/c1-2-3-4-5-6-7-8-9-10-14-17-20-19(23(21)22)18-15-12-11-13-16-18/h11-13,15-16,19-22H,2-10,14,17H2,1H3.
What are the key properties of [(dodecylamino)-phenylmethyl]phosphonous acid?
[(dodecylamino)-phenylmethyl]phosphonous acid has a molecular weight of 339.46 g/mol, XLogP of 5.49, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(dodecylamino)-phenylmethyl]phosphonous acid is sourced from PubChem (CID 57186743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).