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

C13H18Cl3NO — CID 63499435

IUPACN-ethyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine
SMILESCCCC(COc1c(Cl)cc(Cl)cc1Cl)NCC
InChIInChI=1S/C13H18Cl3NO/c1-3-5-10(17-4-2)8-18-13-11(15)6-9(14)7-12(13)16/h6-7,10,17H,3-5,8H2,1-2H3
InChIKeyVTIIEZBWLLAGTL-UHFFFAOYSA-N
MW310.65 g/mol
LogP4.80
Rot. Bonds7

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

N-ethyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine (PubChem CID 63499435) has the molecular formula C13H18Cl3NO and a molecular weight of 310.65 g/mol. Its IUPAC name is N-ethyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine
PubChem CID63499435
Molecular FormulaC13H18Cl3NO
Molecular Weight310.65 g/mol
Exact Mass309.05
IUPAC NameN-ethyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine
SMILESCCCC(COc1c(Cl)cc(Cl)cc1Cl)NCC
InChIInChI=1S/C13H18Cl3NO/c1-3-5-10(17-4-2)8-18-13-11(15)6-9(14)7-12(13)16/h6-7,10,17H,3-5,8H2,1-2H3
InChIKeyVTIIEZBWLLAGTL-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.65
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine
CID 62043427
N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine
CID 62042780
1-methoxy-N-propyl-3-(2,4,6-trichlorophenoxy)propan-2-amine
CID 107506738
1-(4-chlorophenoxy)-N-ethylhexan-2-amine
CID 105125264
N-[2-(2,4,6-trichlorophenoxy)ethyl]pentan-3-amine
CID 63505056
3,5-dichloro-N-ethyl-2-(2-methylpropoxy)aniline
CID 82552173
1-(3-chlorophenoxy)-N-ethylnonan-2-amine
CID 105124587
1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine
CID 62042546
1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine
CID 63421886
1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
CID 62602369
1,3,5-trichloro-2-octadecoxybenzene
CID 20520413
1,3,5-trichloro-2-tetradecoxybenzene
CID 6429977

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine?
The IUPAC name of N-ethyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine (CID 63499435) is N-ethyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine.
What is the SMILES notation for N-ethyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine?
The canonical SMILES for N-ethyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine is CCCC(COc1c(Cl)cc(Cl)cc1Cl)NCC.
What is the InChIKey of N-ethyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine?
The InChIKey is VTIIEZBWLLAGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl3NO/c1-3-5-10(17-4-2)8-18-13-11(15)6-9(14)7-12(13)16/h6-7,10,17H,3-5,8H2,1-2H3.
What are the key properties of N-ethyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine?
N-ethyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine has a molecular weight of 310.65 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine is sourced from PubChem (CID 63499435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).