3-(4-aminophenyl)propyl-hydroxy-oxophosphanium

C9H13NO2P+ — CID 67480214

IUPAC3-(4-aminophenyl)propyl-hydroxy-oxophosphanium
SMILESNc1ccc(CCC[P+](=O)O)cc1
InChIInChI=1S/C9H12NO2P/c10-9-5-3-8(4-6-9)2-1-7-13(11)12/h3-6H,1-2,7,10H2/p+1
InChIKeyQOUIPMCBXPKSII-UHFFFAOYSA-O
MW198.18 g/mol
LogP1.94
Rot. Bonds4

About 3-(4-aminophenyl)propyl-hydroxy-oxophosphanium

3-(4-aminophenyl)propyl-hydroxy-oxophosphanium (PubChem CID 67480214) has the molecular formula C9H13NO2P+ and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-(4-aminophenyl)propyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name3-(4-aminophenyl)propyl-hydroxy-oxophosphanium
PubChem CID67480214
Molecular FormulaC9H13NO2P+
Molecular Weight198.18 g/mol
Exact Mass198.07
IUPAC Name3-(4-aminophenyl)propyl-hydroxy-oxophosphanium
SMILESNc1ccc(CCC[P+](=O)O)cc1
InChIInChI=1S/C9H12NO2P/c10-9-5-3-8(4-6-9)2-1-7-13(11)12/h3-6H,1-2,7,10H2/p+1
InChIKeyQOUIPMCBXPKSII-UHFFFAOYSA-O
XLogP1.94
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)propane-1-sulfinic acid
CID 91622863
4-[5-(4-aminophenyl)pentyl]aniline;methanesulfonic acid
CID 24833754
4-(3-chloropropyl)aniline
CID 11805171
4-(4-aminophenyl)butane-1-sulfonic acid
CID 87801899
4-[4-[4-(4-aminophenyl)butylsulfonyl]butyl]aniline
CID 70555486
3-(3-carboxyphenyl)propyl-hydroxy-oxophosphanium
CID 54058194
1,1-bis[2-(4-aminophenyl)ethyl]urea
CID 141311384
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163
3-(4-aminophenyl)propyl formate
CID 87851882
4-(3-methylbut-3-enyl)aniline
CID 126710999

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)propyl-hydroxy-oxophosphanium?
The IUPAC name of 3-(4-aminophenyl)propyl-hydroxy-oxophosphanium (CID 67480214) is 3-(4-aminophenyl)propyl-hydroxy-oxophosphanium.
What is the SMILES notation for 3-(4-aminophenyl)propyl-hydroxy-oxophosphanium?
The canonical SMILES for 3-(4-aminophenyl)propyl-hydroxy-oxophosphanium is Nc1ccc(CCC[P+](=O)O)cc1.
What is the InChIKey of 3-(4-aminophenyl)propyl-hydroxy-oxophosphanium?
The InChIKey is QOUIPMCBXPKSII-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12NO2P/c10-9-5-3-8(4-6-9)2-1-7-13(11)12/h3-6H,1-2,7,10H2/p+1.
What are the key properties of 3-(4-aminophenyl)propyl-hydroxy-oxophosphanium?
3-(4-aminophenyl)propyl-hydroxy-oxophosphanium has a molecular weight of 198.18 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)propyl-hydroxy-oxophosphanium is sourced from PubChem (CID 67480214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).