2-(2,4-dichlorophenoxy)propan-2-amine

C9H11Cl2NO — CID 56841846

IUPAC2-(2,4-dichlorophenoxy)propan-2-amine
SMILESCC(C)(N)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2NO/c1-9(2,12)13-8-4-3-6(10)5-7(8)11/h3-5H,12H2,1-2H3
InChIKeyFEACULSGJSBOGX-UHFFFAOYSA-N
MW220.10 g/mol
LogP3.07
Rot. Bonds2

About 2-(2,4-dichlorophenoxy)propan-2-amine

2-(2,4-dichlorophenoxy)propan-2-amine (PubChem CID 56841846) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)propan-2-amine.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)propan-2-amine
PubChem CID56841846
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name2-(2,4-dichlorophenoxy)propan-2-amine
SMILESCC(C)(N)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2NO/c1-9(2,12)13-8-4-3-6(10)5-7(8)11/h3-5H,12H2,1-2H3
InChIKeyFEACULSGJSBOGX-UHFFFAOYSA-N
XLogP3.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dichlorophenoxy)-4-methylpentan-2-amine
CID 82090687
2,4-dichloro-1-(trideuteriomethoxy)benzene
CID 141358841
[2-(2,4-dichlorophenoxy)-1,1,2,2-tetrafluoroethyl]-trimethylsilane
CID 154731418
N-(2,4-dichlorophenoxy)methanamine
CID 174617180
2-(2,4-dichlorophenoxy)-2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 17376907
3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide
CID 82090673
1,1-bis(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-ol
CID 13326121
4-bromo-2-chloro-1-[(2-methylpropan-2-yl)oxy]benzene
CID 59637134
3-(2,4-dichlorophenoxy)-2,2-dimethylpropanenitrile
CID 82085345
4-(2,4-dichlorophenoxy)-2,2-dimethylbutanethioamide
CID 65249358
3-(2,4-dichlorophenyl)pentan-3-amine
CID 60987757
2,4-dichloro-1-dimethylphosphoryloxybenzene
CID 20795526

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)propan-2-amine?
The IUPAC name of 2-(2,4-dichlorophenoxy)propan-2-amine (CID 56841846) is 2-(2,4-dichlorophenoxy)propan-2-amine.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)propan-2-amine?
The canonical SMILES for 2-(2,4-dichlorophenoxy)propan-2-amine is CC(C)(N)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)propan-2-amine?
The InChIKey is FEACULSGJSBOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-9(2,12)13-8-4-3-6(10)5-7(8)11/h3-5H,12H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenoxy)propan-2-amine?
2-(2,4-dichlorophenoxy)propan-2-amine has a molecular weight of 220.10 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)propan-2-amine is sourced from PubChem (CID 56841846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).