[(S)-(decylamino)-phenylmethyl]phosphonic acid

C17H30NO3P — CID 98130579

IUPAC[(S)-(decylamino)-phenylmethyl]phosphonic acid
SMILESCCCCCCCCCCN[C@H](c1ccccc1)P(=O)(O)O
InChIInChI=1S/C17H30NO3P/c1-2-3-4-5-6-7-8-12-15-18-17(22(19,20)21)16-13-10-9-11-14-16/h9-11,13-14,17-18H,2-8,12,15H2,1H3,(H2,19,20,21)/t17-/m0/s1
InChIKeyJRUCEIRKFMFRKI-KRWDZBQOSA-N
MW327.40 g/mol
LogP4.59
Rot. Bonds12

About [(S)-(decylamino)-phenylmethyl]phosphonic acid

[(S)-(decylamino)-phenylmethyl]phosphonic acid (PubChem CID 98130579) has the molecular formula C17H30NO3P and a molecular weight of 327.40 g/mol. Its IUPAC name is [(S)-(decylamino)-phenylmethyl]phosphonic acid.

Molecular Properties

Compound Name[(S)-(decylamino)-phenylmethyl]phosphonic acid
PubChem CID98130579
Molecular FormulaC17H30NO3P
Molecular Weight327.40 g/mol
Exact Mass327.20
IUPAC Name[(S)-(decylamino)-phenylmethyl]phosphonic acid
SMILESCCCCCCCCCCN[C@H](c1ccccc1)P(=O)(O)O
InChIInChI=1S/C17H30NO3P/c1-2-3-4-5-6-7-8-12-15-18-17(22(19,20)21)16-13-10-9-11-14-16/h9-11,13-14,17-18H,2-8,12,15H2,1H3,(H2,19,20,21)/t17-/m0/s1
InChIKeyJRUCEIRKFMFRKI-KRWDZBQOSA-N
XLogP4.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

[phenyl-(tridecylamino)methyl]phosphonic acid
CID 134917630
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
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
[(dodecylamino)-phenylmethyl]phosphonous acid
CID 57186743
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-pentyl-1-phenyldecan-1-amine
CID 10380274

Frequently Asked Questions

What is the IUPAC name of [(S)-(decylamino)-phenylmethyl]phosphonic acid?
The IUPAC name of [(S)-(decylamino)-phenylmethyl]phosphonic acid (CID 98130579) is [(S)-(decylamino)-phenylmethyl]phosphonic acid.
What is the SMILES notation for [(S)-(decylamino)-phenylmethyl]phosphonic acid?
The canonical SMILES for [(S)-(decylamino)-phenylmethyl]phosphonic acid is CCCCCCCCCCN[C@H](c1ccccc1)P(=O)(O)O.
What is the InChIKey of [(S)-(decylamino)-phenylmethyl]phosphonic acid?
The InChIKey is JRUCEIRKFMFRKI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H30NO3P/c1-2-3-4-5-6-7-8-12-15-18-17(22(19,20)21)16-13-10-9-11-14-16/h9-11,13-14,17-18H,2-8,12,15H2,1H3,(H2,19,20,21)/t17-/m0/s1.
What are the key properties of [(S)-(decylamino)-phenylmethyl]phosphonic acid?
[(S)-(decylamino)-phenylmethyl]phosphonic acid has a molecular weight of 327.40 g/mol, XLogP of 4.59, 12 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-(decylamino)-phenylmethyl]phosphonic acid is sourced from PubChem (CID 98130579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).