[2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid

C8H11ClNO3P — CID 10513936

IUPAC[2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid
SMILESNCC(c1ccc(Cl)cc1)P(=O)(O)O
InChIInChI=1S/C8H11ClNO3P/c9-7-3-1-6(2-4-7)8(5-10)14(11,12)13/h1-4,8H,5,10H2,(H2,11,12,13)
InChIKeyHSVYZWJZUFUXDB-UHFFFAOYSA-N
MW235.61 g/mol
LogP1.52
Rot. Bonds3

About [2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid

[2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid (PubChem CID 10513936) has the molecular formula C8H11ClNO3P and a molecular weight of 235.61 g/mol. Its IUPAC name is [2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid.

Molecular Properties

Compound Name[2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid
PubChem CID10513936
Molecular FormulaC8H11ClNO3P
Molecular Weight235.61 g/mol
Exact Mass235.02
IUPAC Name[2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid
SMILESNCC(c1ccc(Cl)cc1)P(=O)(O)O
InChIInChI=1S/C8H11ClNO3P/c9-7-3-1-6(2-4-7)8(5-10)14(11,12)13/h1-4,8H,5,10H2,(H2,11,12,13)
InChIKeyHSVYZWJZUFUXDB-UHFFFAOYSA-N
XLogP1.52
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.61
LogP ≤ 51.52
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

[bromo-(4-chlorophenyl)methyl]phosphonic acid
CID 19909702
[1-(4-chlorophenyl)-3-[formyl(hydroxy)amino]propyl]phosphonic acid
CID 101411104
1,4-dichlorobenzene;phosphoric acid
CID 175035024
2,2-bis(4-chlorophenyl)ethanamine
CID 13110442
2-chloro-2-(4-chlorophenyl)ethanamine
CID 10702822
[(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid
CID 102300014
3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
[(2R)-3-amino-2-(4-chlorophenyl)propyl]-(diethoxymethyl)phosphinic acid
CID 23928163
(4-chlorophenyl)sulfanylmethylphosphonic acid
CID 86131066
bis[(4-chlorophenyl)sulfanyl]phosphinic acid
CID 11142675
2-(4-chlorophenyl)butane-1,4-diamine
CID 82076304
(2R)-2-(4-chlorophenyl)-2-hydroxyacetamide
CID 69300221

Frequently Asked Questions

What is the IUPAC name of [2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid?
The IUPAC name of [2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid (CID 10513936) is [2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid.
What is the SMILES notation for [2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid?
The canonical SMILES for [2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid is NCC(c1ccc(Cl)cc1)P(=O)(O)O.
What is the InChIKey of [2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid?
The InChIKey is HSVYZWJZUFUXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClNO3P/c9-7-3-1-6(2-4-7)8(5-10)14(11,12)13/h1-4,8H,5,10H2,(H2,11,12,13).
What are the key properties of [2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid?
[2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid has a molecular weight of 235.61 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid is sourced from PubChem (CID 10513936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).