3-aminopropyl(2-phenylethyl)phosphinic acid;hydrochloride

C11H19ClNO2P — CID 6602756

IUPAC3-aminopropyl(2-phenylethyl)phosphinic acid;hydrochloride
SMILESCl.NCCCP(=O)(O)CCc1ccccc1
InChIInChI=1S/C11H18NO2P.ClH/c12-8-4-9-15(13,14)10-7-11-5-2-1-3-6-11;/h1-3,5-6H,4,7-10,12H2,(H,13,14);1H
InChIKeyHFIKPNBAMVLQIT-UHFFFAOYSA-N
MW263.70 g/mol
LogP2.27
Rot. Bonds6

About 3-aminopropyl(2-phenylethyl)phosphinic acid;hydrochloride

3-aminopropyl(2-phenylethyl)phosphinic acid;hydrochloride (PubChem CID 6602756) has the molecular formula C11H19ClNO2P and a molecular weight of 263.70 g/mol. Its IUPAC name is 3-aminopropyl(2-phenylethyl)phosphinic acid;hydrochloride.

Molecular Properties

Compound Name3-aminopropyl(2-phenylethyl)phosphinic acid;hydrochloride
PubChem CID6602756
Molecular FormulaC11H19ClNO2P
Molecular Weight263.70 g/mol
Exact Mass263.08
IUPAC Name3-aminopropyl(2-phenylethyl)phosphinic acid;hydrochloride
SMILESCl.NCCCP(=O)(O)CCc1ccccc1
InChIInChI=1S/C11H18NO2P.ClH/c12-8-4-9-15(13,14)10-7-11-5-2-1-3-6-11;/h1-3,5-6H,4,7-10,12H2,(H,13,14);1H
InChIKeyHFIKPNBAMVLQIT-UHFFFAOYSA-N
XLogP2.27
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethyl(2-phenylethyl)phosphinic acid
CID 949642
butyl(2-phenylethyl)phosphinic acid;iron
CID 159791741
2-bromoethyl(2-phenylethyl)phosphinic acid
CID 11087049
[(E)-but-2-enyl]-(2-phenylethyl)phosphinic acid
CID 67394631
4-phenylbutan-1-amine;hydrochloride
CID 44630065
benzene;3-phenylpropan-1-amine
CID 174865683
[hydroxy(2-phenylethyl)phosphoryl]formic acid
CID 69405500
3-[hydroxy(2-phenylethyl)phosphoryl]-2-methylpropanoic acid
CID 46213969
3-aminopropyl-[hydroxy(phenyl)methyl]phosphinic acid
CID 10059688
13-phenyltridecan-1-amine
CID 19801439
2-[4-(2-aminoethyl)phenyl]ethylphosphonic acid
CID 177244473
3-aminopropyl-[(4-fluorophenyl)methyl]phosphinic acid
CID 10331452

Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl(2-phenylethyl)phosphinic acid;hydrochloride?
The IUPAC name of 3-aminopropyl(2-phenylethyl)phosphinic acid;hydrochloride (CID 6602756) is 3-aminopropyl(2-phenylethyl)phosphinic acid;hydrochloride.
What is the SMILES notation for 3-aminopropyl(2-phenylethyl)phosphinic acid;hydrochloride?
The canonical SMILES for 3-aminopropyl(2-phenylethyl)phosphinic acid;hydrochloride is Cl.NCCCP(=O)(O)CCc1ccccc1.
What is the InChIKey of 3-aminopropyl(2-phenylethyl)phosphinic acid;hydrochloride?
The InChIKey is HFIKPNBAMVLQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO2P.ClH/c12-8-4-9-15(13,14)10-7-11-5-2-1-3-6-11;/h1-3,5-6H,4,7-10,12H2,(H,13,14);1H.
What are the key properties of 3-aminopropyl(2-phenylethyl)phosphinic acid;hydrochloride?
3-aminopropyl(2-phenylethyl)phosphinic acid;hydrochloride has a molecular weight of 263.70 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl(2-phenylethyl)phosphinic acid;hydrochloride is sourced from PubChem (CID 6602756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).