[2-(3-aminopropyl)phenyl]phosphonic acid

C9H14NO3P — CID 54396529

IUPAC[2-(3-aminopropyl)phenyl]phosphonic acid
SMILESNCCCc1ccccc1P(=O)(O)O
InChIInChI=1S/C9H14NO3P/c10-7-3-5-8-4-1-2-6-9(8)14(11,12)13/h1-2,4,6H,3,5,7,10H2,(H2,11,12,13)
InChIKeyVKIZRYOVBDUVIK-UHFFFAOYSA-N
MW215.19 g/mol
LogP0.38
Rot. Bonds4

About [2-(3-aminopropyl)phenyl]phosphonic acid

[2-(3-aminopropyl)phenyl]phosphonic acid (PubChem CID 54396529) has the molecular formula C9H14NO3P and a molecular weight of 215.19 g/mol. Its IUPAC name is [2-(3-aminopropyl)phenyl]phosphonic acid.

Molecular Properties

Compound Name[2-(3-aminopropyl)phenyl]phosphonic acid
PubChem CID54396529
Molecular FormulaC9H14NO3P
Molecular Weight215.19 g/mol
Exact Mass215.07
IUPAC Name[2-(3-aminopropyl)phenyl]phosphonic acid
SMILESNCCCc1ccccc1P(=O)(O)O
InChIInChI=1S/C9H14NO3P/c10-7-3-5-8-4-1-2-6-9(8)14(11,12)13/h1-2,4,6H,3,5,7,10H2,(H2,11,12,13)
InChIKeyVKIZRYOVBDUVIK-UHFFFAOYSA-N
XLogP0.38
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-heptadecylphenyl)phosphonic acid
CID 23434842
[2-[3-[2-[hydroxy(methyl)phosphoryl]phenyl]propylamino]phenyl]phosphonic acid
CID 58071540
[2-(oxiran-2-ylmethyl)phenyl]phosphonic acid
CID 174396198
3-(2-nitrophenyl)propan-1-amine
CID 15715793
N-[2-(3-aminopropyl)phenyl]-N-methylacetamide
CID 143582453
4-[2-(3-aminopropyl)phenyl]phenol
CID 83384327
3-[2-(2-fluorophenyl)phenyl]propan-1-amine
CID 170878786
(2-aminophenyl)phosphonic acid;butane
CID 90117924
3-(2-tert-butylphenyl)propan-1-amine
CID 84772141
1-[chloro-(2-heptylphenyl)phosphoryl]-2-heptylbenzene
CID 156694182
[2-(4-aminobutyl)phenyl]urea
CID 117296509
3-aminopropyl(2-phenylethyl)phosphinic acid;hydrochloride
CID 6602756

Frequently Asked Questions

What is the IUPAC name of [2-(3-aminopropyl)phenyl]phosphonic acid?
The IUPAC name of [2-(3-aminopropyl)phenyl]phosphonic acid (CID 54396529) is [2-(3-aminopropyl)phenyl]phosphonic acid.
What is the SMILES notation for [2-(3-aminopropyl)phenyl]phosphonic acid?
The canonical SMILES for [2-(3-aminopropyl)phenyl]phosphonic acid is NCCCc1ccccc1P(=O)(O)O.
What is the InChIKey of [2-(3-aminopropyl)phenyl]phosphonic acid?
The InChIKey is VKIZRYOVBDUVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO3P/c10-7-3-5-8-4-1-2-6-9(8)14(11,12)13/h1-2,4,6H,3,5,7,10H2,(H2,11,12,13).
What are the key properties of [2-(3-aminopropyl)phenyl]phosphonic acid?
[2-(3-aminopropyl)phenyl]phosphonic acid has a molecular weight of 215.19 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminopropyl)phenyl]phosphonic acid is sourced from PubChem (CID 54396529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).