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

C12H16Cl3NO — CID 62043427

IUPACN-methyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine
SMILESCCCC(COc1c(Cl)cc(Cl)cc1Cl)NC
InChIInChI=1S/C12H16Cl3NO/c1-3-4-9(16-2)7-17-12-10(14)5-8(13)6-11(12)15/h5-6,9,16H,3-4,7H2,1-2H3
InChIKeyBSKULOGLXSGAOW-UHFFFAOYSA-N
MW296.62 g/mol
LogP4.41
Rot. Bonds6

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

N-methyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine (PubChem CID 62043427) has the molecular formula C12H16Cl3NO and a molecular weight of 296.62 g/mol. Its IUPAC name is N-methyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine
PubChem CID62043427
Molecular FormulaC12H16Cl3NO
Molecular Weight296.62 g/mol
Exact Mass295.03
IUPAC NameN-methyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine
SMILESCCCC(COc1c(Cl)cc(Cl)cc1Cl)NC
InChIInChI=1S/C12H16Cl3NO/c1-3-4-9(16-2)7-17-12-10(14)5-8(13)6-11(12)15/h5-6,9,16H,3-4,7H2,1-2H3
InChIKeyBSKULOGLXSGAOW-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.62
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine?
The IUPAC name of N-methyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine (CID 62043427) is N-methyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine.
What is the SMILES notation for N-methyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine?
The canonical SMILES for N-methyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine is CCCC(COc1c(Cl)cc(Cl)cc1Cl)NC.
What is the InChIKey of N-methyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine?
The InChIKey is BSKULOGLXSGAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl3NO/c1-3-4-9(16-2)7-17-12-10(14)5-8(13)6-11(12)15/h5-6,9,16H,3-4,7H2,1-2H3.
What are the key properties of N-methyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine?
N-methyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine has a molecular weight of 296.62 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine is sourced from PubChem (CID 62043427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).