N-[3-(2,3-dichlorophenoxy)propyl]-2-methylpropan-2-amine

C13H19Cl2NO — CID 2054660

IUPACN-[3-(2,3-dichlorophenoxy)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2NO/c1-13(2,3)16-8-5-9-17-11-7-4-6-10(14)12(11)15/h4,6-7,16H,5,8-9H2,1-3H3
InChIKeyZEYVAWOWJTVERR-UHFFFAOYSA-N
MW276.21 g/mol
LogP4.15
Rot. Bonds5

About N-[3-(2,3-dichlorophenoxy)propyl]-2-methylpropan-2-amine

N-[3-(2,3-dichlorophenoxy)propyl]-2-methylpropan-2-amine (PubChem CID 2054660) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is N-[3-(2,3-dichlorophenoxy)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(2,3-dichlorophenoxy)propyl]-2-methylpropan-2-amine
PubChem CID2054660
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC NameN-[3-(2,3-dichlorophenoxy)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2NO/c1-13(2,3)16-8-5-9-17-11-7-4-6-10(14)12(11)15/h4,6-7,16H,5,8-9H2,1-3H3
InChIKeyZEYVAWOWJTVERR-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cloranolol
CID 65814
2-[3-(2,5-Dichlorophenoxy)propylamino]ethanol
CID 2865584
2-((3-(2,3-Dichlorophenoxy)propyl)amino)ethanol
CID 2250975
[2-(2-Chloro-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
CID 10780942
Cyclopropanamine, N-(2-(2-chlorophenoxy)ethyl)-, hydrochloride (1:1)
CID 21485
2-Propanol, 1-(2,5-dichlorophenoxy)-3-((1,1-dimethylethyl)amino)-, hydrochloride (1:1)
CID 162743
N-[3-(2,3-dichlorophenoxy)propyl]-1-butanamine
CID 2248430
3-(3,4-dichlorophenoxy)-N,N-diethyl-1-propanamine
CID 2296510
1-[3-(2,3-Dichlorophenoxy)propyl]pyrrolidine
CID 5210786
N-[3-(2,3-dichlorophenoxy)propyl]-1-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 44186437
Dichlorophenoxybutanolisopropylamine
CID 162819
Ethylamine, 2-(o-chlorophenoxy)-N-methyl-
CID 144410

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dichlorophenoxy)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(2,3-dichlorophenoxy)propyl]-2-methylpropan-2-amine (CID 2054660) is N-[3-(2,3-dichlorophenoxy)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(2,3-dichlorophenoxy)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(2,3-dichlorophenoxy)propyl]-2-methylpropan-2-amine is CC(C)(C)NCCCOc1cccc(Cl)c1Cl.
What is the InChIKey of N-[3-(2,3-dichlorophenoxy)propyl]-2-methylpropan-2-amine?
The InChIKey is ZEYVAWOWJTVERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-13(2,3)16-8-5-9-17-11-7-4-6-10(14)12(11)15/h4,6-7,16H,5,8-9H2,1-3H3.
What are the key properties of N-[3-(2,3-dichlorophenoxy)propyl]-2-methylpropan-2-amine?
N-[3-(2,3-dichlorophenoxy)propyl]-2-methylpropan-2-amine has a molecular weight of 276.21 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dichlorophenoxy)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 2054660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).