N-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine

C13H18Cl3NO2 — CID 2280812

IUPACN-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl3NO2/c1-9(2)17-3-4-18-5-6-19-13-11(15)7-10(14)8-12(13)16/h7-9,17H,3-6H2,1-2H3
InChIKeyACOJWZGCSWQEKP-UHFFFAOYSA-N
MW326.65 g/mol
LogP4.04
Rot. Bonds8

About N-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine

N-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine (PubChem CID 2280812) has the molecular formula C13H18Cl3NO2 and a molecular weight of 326.65 g/mol. Its IUPAC name is N-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine
PubChem CID2280812
Molecular FormulaC13H18Cl3NO2
Molecular Weight326.65 g/mol
Exact Mass325.04
IUPAC NameN-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl3NO2/c1-9(2)17-3-4-18-5-6-19-13-11(15)7-10(14)8-12(13)16/h7-9,17H,3-6H2,1-2H3
InChIKeyACOJWZGCSWQEKP-UHFFFAOYSA-N
XLogP4.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.65
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-4-(2,4,6-trichlorophenoxy)butan-1-amine
CID 62572065
1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine
CID 55088685
N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine
CID 2280848
N-[2-(2,4,6-trichlorophenoxy)ethyl]pentan-3-amine
CID 63505056
1,3,5-trichloro-2-(3-methylbutoxy)benzene
CID 91691972
N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2935222
N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine
CID 2276712
4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62450741
N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine
CID 2935622
N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine
CID 2280828
N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449939
1-[3,5-dichloro-2-[2-(2-methylpropoxy)ethoxy]phenyl]-N-methylmethanamine
CID 106449933

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine (CID 2280812) is N-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine is CC(C)NCCOCCOc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine?
The InChIKey is ACOJWZGCSWQEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl3NO2/c1-9(2)17-3-4-18-5-6-19-13-11(15)7-10(14)8-12(13)16/h7-9,17H,3-6H2,1-2H3.
What are the key properties of N-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine?
N-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine has a molecular weight of 326.65 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 2280812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).