2-[(2-amino-3-chlorophenoxy)-propylphosphoryl]oxy-6-chloroaniline

C15H17Cl2N2O3P — CID 90955867

IUPAC2-[(2-amino-3-chlorophenoxy)-propylphosphoryl]oxy-6-chloroaniline
SMILESCCCP(=O)(Oc1cccc(Cl)c1N)Oc1cccc(Cl)c1N
InChIInChI=1S/C15H17Cl2N2O3P/c1-2-9-23(20,21-12-7-3-5-10(16)14(12)18)22-13-8-4-6-11(17)15(13)19/h3-8H,2,9,18-19H2,1H3
InChIKeyDPFMBASDRKBJOR-UHFFFAOYSA-N
MW375.19 g/mol
LogP5.22
Rot. Bonds6

About 2-[(2-amino-3-chlorophenoxy)-propylphosphoryl]oxy-6-chloroaniline

2-[(2-amino-3-chlorophenoxy)-propylphosphoryl]oxy-6-chloroaniline (PubChem CID 90955867) has the molecular formula C15H17Cl2N2O3P and a molecular weight of 375.19 g/mol. Its IUPAC name is 2-[(2-amino-3-chlorophenoxy)-propylphosphoryl]oxy-6-chloroaniline.

Molecular Properties

Compound Name2-[(2-amino-3-chlorophenoxy)-propylphosphoryl]oxy-6-chloroaniline
PubChem CID90955867
Molecular FormulaC15H17Cl2N2O3P
Molecular Weight375.19 g/mol
Exact Mass374.04
IUPAC Name2-[(2-amino-3-chlorophenoxy)-propylphosphoryl]oxy-6-chloroaniline
SMILESCCCP(=O)(Oc1cccc(Cl)c1N)Oc1cccc(Cl)c1N
InChIInChI=1S/C15H17Cl2N2O3P/c1-2-9-23(20,21-12-7-3-5-10(16)14(12)18)22-13-8-4-6-11(17)15(13)19/h3-8H,2,9,18-19H2,1H3
InChIKeyDPFMBASDRKBJOR-UHFFFAOYSA-N
XLogP5.22
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.19
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butoxyethoxy)-6-chloroaniline
CID 104834987
1-[butoxy(ethyl)phosphoryl]oxy-2-chlorobenzene
CID 25065173
1,2-bis(dipropylphosphoryloxy)benzene
CID 54254204
2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene
CID 91739119
(2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone
CID 18514206
2-chloro-6-(2-chloro-4-methylphenoxy)aniline
CID 113458741
2-amino-3-chloro-N-propylbenzamide
CID 80503191
2-bis(2-chlorophenoxy)phosphorylacetonitrile
CID 154139597
ethyl 2-(2-amino-3-chlorophenyl)butanoate
CID 106988100
2-chloro-6-(3-methoxy-3-methylbutoxy)aniline
CID 106664854
[(2,6-dichlorobenzoyl)-propylphosphoryl]-(2,6-dichlorophenyl)methanone;oxophosphane
CID 139438356
2-chloro-6-(2-iodophenoxy)aniline
CID 104835012

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-chlorophenoxy)-propylphosphoryl]oxy-6-chloroaniline?
The IUPAC name of 2-[(2-amino-3-chlorophenoxy)-propylphosphoryl]oxy-6-chloroaniline (CID 90955867) is 2-[(2-amino-3-chlorophenoxy)-propylphosphoryl]oxy-6-chloroaniline.
What is the SMILES notation for 2-[(2-amino-3-chlorophenoxy)-propylphosphoryl]oxy-6-chloroaniline?
The canonical SMILES for 2-[(2-amino-3-chlorophenoxy)-propylphosphoryl]oxy-6-chloroaniline is CCCP(=O)(Oc1cccc(Cl)c1N)Oc1cccc(Cl)c1N.
What is the InChIKey of 2-[(2-amino-3-chlorophenoxy)-propylphosphoryl]oxy-6-chloroaniline?
The InChIKey is DPFMBASDRKBJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N2O3P/c1-2-9-23(20,21-12-7-3-5-10(16)14(12)18)22-13-8-4-6-11(17)15(13)19/h3-8H,2,9,18-19H2,1H3.
What are the key properties of 2-[(2-amino-3-chlorophenoxy)-propylphosphoryl]oxy-6-chloroaniline?
2-[(2-amino-3-chlorophenoxy)-propylphosphoryl]oxy-6-chloroaniline has a molecular weight of 375.19 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-chlorophenoxy)-propylphosphoryl]oxy-6-chloroaniline is sourced from PubChem (CID 90955867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).