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

C8H12Cl2NO3P — CID 142688208

IUPAC[2-amino-1-(2-chlorophenyl)ethyl]phosphonic acid;hydrochloride
SMILESCl.NCC(c1ccccc1Cl)P(=O)(O)O
InChIInChI=1S/C8H11ClNO3P.ClH/c9-7-4-2-1-3-6(7)8(5-10)14(11,12)13;/h1-4,8H,5,10H2,(H2,11,12,13);1H
InChIKeyZWEZUDUXHRVZEU-UHFFFAOYSA-N
MW272.07 g/mol
LogP1.94
Rot. Bonds3

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

[2-amino-1-(2-chlorophenyl)ethyl]phosphonic acid;hydrochloride (PubChem CID 142688208) has the molecular formula C8H12Cl2NO3P and a molecular weight of 272.07 g/mol. Its IUPAC name is [2-amino-1-(2-chlorophenyl)ethyl]phosphonic acid;hydrochloride.

Molecular Properties

Compound Name[2-amino-1-(2-chlorophenyl)ethyl]phosphonic acid;hydrochloride
PubChem CID142688208
Molecular FormulaC8H12Cl2NO3P
Molecular Weight272.07 g/mol
Exact Mass270.99
IUPAC Name[2-amino-1-(2-chlorophenyl)ethyl]phosphonic acid;hydrochloride
SMILESCl.NCC(c1ccccc1Cl)P(=O)(O)O
InChIInChI=1S/C8H11ClNO3P.ClH/c9-7-4-2-1-3-6(7)8(5-10)14(11,12)13;/h1-4,8H,5,10H2,(H2,11,12,13);1H
InChIKeyZWEZUDUXHRVZEU-UHFFFAOYSA-N
XLogP1.94
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.07
LogP ≤ 51.94
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

[(S)-amino-(2-chlorophenyl)methyl]phosphonic acid
CID 101067310
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
[2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid
CID 10513936
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
3-(2-chlorophenyl)pentanediamide
CID 13034531
3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol
CID 60734098
[2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride
CID 146368556
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
(3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride
CID 71755470
(3S)-4-amino-3-(2-chlorophenyl)butanal
CID 170430906
N,1-bis(2-chlorophenyl)ethane-1,2-diamine
CID 65377297
3-amino-2-(2-chlorophenyl)-1-phenylpropan-1-ol
CID 65184557

Frequently Asked Questions

What is the IUPAC name of [2-amino-1-(2-chlorophenyl)ethyl]phosphonic acid;hydrochloride?
The IUPAC name of [2-amino-1-(2-chlorophenyl)ethyl]phosphonic acid;hydrochloride (CID 142688208) is [2-amino-1-(2-chlorophenyl)ethyl]phosphonic acid;hydrochloride.
What is the SMILES notation for [2-amino-1-(2-chlorophenyl)ethyl]phosphonic acid;hydrochloride?
The canonical SMILES for [2-amino-1-(2-chlorophenyl)ethyl]phosphonic acid;hydrochloride is Cl.NCC(c1ccccc1Cl)P(=O)(O)O.
What is the InChIKey of [2-amino-1-(2-chlorophenyl)ethyl]phosphonic acid;hydrochloride?
The InChIKey is ZWEZUDUXHRVZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClNO3P.ClH/c9-7-4-2-1-3-6(7)8(5-10)14(11,12)13;/h1-4,8H,5,10H2,(H2,11,12,13);1H.
What are the key properties of [2-amino-1-(2-chlorophenyl)ethyl]phosphonic acid;hydrochloride?
[2-amino-1-(2-chlorophenyl)ethyl]phosphonic acid;hydrochloride has a molecular weight of 272.07 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-1-(2-chlorophenyl)ethyl]phosphonic acid;hydrochloride is sourced from PubChem (CID 142688208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).