N-ethyl-2-(2,4,6-trichlorophenoxy)propan-1-amine

C11H14Cl3NO — CID 175035603

IUPACN-ethyl-2-(2,4,6-trichlorophenoxy)propan-1-amine
SMILESCCNCC(C)Oc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl3NO/c1-3-15-6-7(2)16-11-9(13)4-8(12)5-10(11)14/h4-5,7,15H,3,6H2,1-2H3
InChIKeyHXKKPRZETCIZCW-UHFFFAOYSA-N
MW282.60 g/mol
LogP4.02
Rot. Bonds5

About N-ethyl-2-(2,4,6-trichlorophenoxy)propan-1-amine

N-ethyl-2-(2,4,6-trichlorophenoxy)propan-1-amine (PubChem CID 175035603) has the molecular formula C11H14Cl3NO and a molecular weight of 282.60 g/mol. Its IUPAC name is N-ethyl-2-(2,4,6-trichlorophenoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2,4,6-trichlorophenoxy)propan-1-amine
PubChem CID175035603
Molecular FormulaC11H14Cl3NO
Molecular Weight282.60 g/mol
Exact Mass281.01
IUPAC NameN-ethyl-2-(2,4,6-trichlorophenoxy)propan-1-amine
SMILESCCNCC(C)Oc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl3NO/c1-3-15-6-7(2)16-11-9(13)4-8(12)5-10(11)14/h4-5,7,15H,3,6H2,1-2H3
InChIKeyHXKKPRZETCIZCW-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.60
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine
CID 62459615
N-[2-(4-chloro-2,6-dimethylphenoxy)propyl]-2-methylpropan-1-amine
CID 63498348
2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine
CID 62485370
2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine
CID 62450743
N-ethyl-2-(4-fluorophenoxy)propan-1-amine
CID 62454128
2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine
CID 62485923
2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]-N-ethylpropanamide
CID 43515771
N-[(3,5-dichloro-2-pentan-2-yloxyphenyl)methyl]propan-2-amine
CID 107890855
2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine
CID 55076972
2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786
2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine
CID 62486029
N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide
CID 43515774

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2,4,6-trichlorophenoxy)propan-1-amine?
The IUPAC name of N-ethyl-2-(2,4,6-trichlorophenoxy)propan-1-amine (CID 175035603) is N-ethyl-2-(2,4,6-trichlorophenoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-2-(2,4,6-trichlorophenoxy)propan-1-amine?
The canonical SMILES for N-ethyl-2-(2,4,6-trichlorophenoxy)propan-1-amine is CCNCC(C)Oc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-ethyl-2-(2,4,6-trichlorophenoxy)propan-1-amine?
The InChIKey is HXKKPRZETCIZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl3NO/c1-3-15-6-7(2)16-11-9(13)4-8(12)5-10(11)14/h4-5,7,15H,3,6H2,1-2H3.
What are the key properties of N-ethyl-2-(2,4,6-trichlorophenoxy)propan-1-amine?
N-ethyl-2-(2,4,6-trichlorophenoxy)propan-1-amine has a molecular weight of 282.60 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2,4,6-trichlorophenoxy)propan-1-amine is sourced from PubChem (CID 175035603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).