[4-(propylamino)phenyl]phosphonic acid

C9H14NO3P — CID 3029986

IUPAC[4-(propylamino)phenyl]phosphonic acid
SMILESCCCNc1ccc(P(=O)(O)O)cc1
InChIInChI=1S/C9H14NO3P/c1-2-7-10-8-3-5-9(6-4-8)14(11,12)13/h3-6,10H,2,7H2,1H3,(H2,11,12,13)
InChIKeyPHIBFAVYPQXHDZ-UHFFFAOYSA-N
MW215.19 g/mol
LogP1.31
Rot. Bonds4

About [4-(propylamino)phenyl]phosphonic acid

[4-(propylamino)phenyl]phosphonic acid (PubChem CID 3029986) has the molecular formula C9H14NO3P and a molecular weight of 215.19 g/mol. Its IUPAC name is [4-(propylamino)phenyl]phosphonic acid.

Molecular Properties

Compound Name[4-(propylamino)phenyl]phosphonic acid
PubChem CID3029986
Molecular FormulaC9H14NO3P
Molecular Weight215.19 g/mol
Exact Mass215.07
IUPAC Name[4-(propylamino)phenyl]phosphonic acid
SMILESCCCNc1ccc(P(=O)(O)O)cc1
InChIInChI=1S/C9H14NO3P/c1-2-7-10-8-3-5-9(6-4-8)14(11,12)13/h3-6,10H,2,7H2,1H3,(H2,11,12,13)
InChIKeyPHIBFAVYPQXHDZ-UHFFFAOYSA-N
XLogP1.31
TPSA69.56 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 ≤ 51.31
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

bis[4-(butylamino)phenyl]phosphinic acid
CID 139517434
1-[4-(propylamino)phenyl]ethanone
CID 7304598
[4-(propylamino)phenyl]methanol
CID 82668177
[4-(propylamino)phenyl]urea
CID 43745026
N-propylaniline
CID 12153
N-pentyl-4-(propylamino)benzamide
CID 62185567
[4-(propylamino)phenyl] acetate
CID 82532444
N-butan-2-yl-4-(propylamino)benzamide
CID 62171300
N-cyclobutyl-4-(propylamino)benzamide
CID 55067083
N-(2,3-dimethylbutyl)-4-(propylamino)benzamide
CID 64581359
[4-(propylamino)phenyl] 2,2-dimethylpropanoate
CID 82532439
[4-(propylamino)phenyl] thiohypochlorite
CID 176938204

Frequently Asked Questions

What is the IUPAC name of [4-(propylamino)phenyl]phosphonic acid?
The IUPAC name of [4-(propylamino)phenyl]phosphonic acid (CID 3029986) is [4-(propylamino)phenyl]phosphonic acid.
What is the SMILES notation for [4-(propylamino)phenyl]phosphonic acid?
The canonical SMILES for [4-(propylamino)phenyl]phosphonic acid is CCCNc1ccc(P(=O)(O)O)cc1.
What is the InChIKey of [4-(propylamino)phenyl]phosphonic acid?
The InChIKey is PHIBFAVYPQXHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO3P/c1-2-7-10-8-3-5-9(6-4-8)14(11,12)13/h3-6,10H,2,7H2,1H3,(H2,11,12,13).
What are the key properties of [4-(propylamino)phenyl]phosphonic acid?
[4-(propylamino)phenyl]phosphonic acid has a molecular weight of 215.19 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propylamino)phenyl]phosphonic acid is sourced from PubChem (CID 3029986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).