(2-amino-4-chloroanilino)methyl-ethoxyphosphinic acid;hydrochloride

C9H15Cl2N2O3P — CID 2795150

IUPAC(2-amino-4-chloroanilino)methyl-ethoxyphosphinic acid;hydrochloride
SMILESCCOP(=O)(O)CNc1ccc(Cl)cc1N.Cl
InChIInChI=1S/C9H14ClN2O3P.ClH/c1-2-15-16(13,14)6-12-9-4-3-7(10)5-8(9)11;/h3-5,12H,2,6,11H2,1H3,(H,13,14);1H
InChIKeyRPSKGUKEKBOSLI-UHFFFAOYSA-N
MW301.11 g/mol
LogP2.94
Rot. Bonds5

About (2-amino-4-chloroanilino)methyl-ethoxyphosphinic acid;hydrochloride

(2-amino-4-chloroanilino)methyl-ethoxyphosphinic acid;hydrochloride (PubChem CID 2795150) has the molecular formula C9H15Cl2N2O3P and a molecular weight of 301.11 g/mol. Its IUPAC name is (2-amino-4-chloroanilino)methyl-ethoxyphosphinic acid;hydrochloride.

Molecular Properties

Compound Name(2-amino-4-chloroanilino)methyl-ethoxyphosphinic acid;hydrochloride
PubChem CID2795150
Molecular FormulaC9H15Cl2N2O3P
Molecular Weight301.11 g/mol
Exact Mass300.02
IUPAC Name(2-amino-4-chloroanilino)methyl-ethoxyphosphinic acid;hydrochloride
SMILESCCOP(=O)(O)CNc1ccc(Cl)cc1N.Cl
InChIInChI=1S/C9H14ClN2O3P.ClH/c1-2-15-16(13,14)6-12-9-4-3-7(10)5-8(9)11;/h3-5,12H,2,6,11H2,1H3,(H,13,14);1H
InChIKeyRPSKGUKEKBOSLI-UHFFFAOYSA-N
XLogP2.94
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.11
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(2-amino-4-chloroanilino)butanoate
CID 64575580
N-(2-amino-4-chlorophenyl)-2-ethoxyacetamide
CID 16791800
4-chloro-1-N-(3-ethoxypropyl)benzene-1,2-diamine
CID 28904711
2-(2-amino-4-chloroanilino)-N-ethylacetamide
CID 43566811
1-(2-amino-4-chloroanilino)propan-2-ol
CID 15932693
N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide
CID 16781358
(2,5-dichlorophenyl)-ethoxyphosphinic acid
CID 165355272
5-(2-amino-4-chloroanilino)-2-methylpentan-1-ol
CID 106154375
4-chloro-1-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,2-diamine
CID 114465194
N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide
CID 16777469
N-(2-amino-4-chlorophenyl)-4-propoxybenzamide
CID 91687642
N-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91688991

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chloroanilino)methyl-ethoxyphosphinic acid;hydrochloride?
The IUPAC name of (2-amino-4-chloroanilino)methyl-ethoxyphosphinic acid;hydrochloride (CID 2795150) is (2-amino-4-chloroanilino)methyl-ethoxyphosphinic acid;hydrochloride.
What is the SMILES notation for (2-amino-4-chloroanilino)methyl-ethoxyphosphinic acid;hydrochloride?
The canonical SMILES for (2-amino-4-chloroanilino)methyl-ethoxyphosphinic acid;hydrochloride is CCOP(=O)(O)CNc1ccc(Cl)cc1N.Cl.
What is the InChIKey of (2-amino-4-chloroanilino)methyl-ethoxyphosphinic acid;hydrochloride?
The InChIKey is RPSKGUKEKBOSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN2O3P.ClH/c1-2-15-16(13,14)6-12-9-4-3-7(10)5-8(9)11;/h3-5,12H,2,6,11H2,1H3,(H,13,14);1H.
What are the key properties of (2-amino-4-chloroanilino)methyl-ethoxyphosphinic acid;hydrochloride?
(2-amino-4-chloroanilino)methyl-ethoxyphosphinic acid;hydrochloride has a molecular weight of 301.11 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-chloroanilino)methyl-ethoxyphosphinic acid;hydrochloride is sourced from PubChem (CID 2795150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).