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

C16H27NO — CID 62042780

IUPACN-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine
SMILESCCCC(COc1c(C)cc(C)cc1C)NCC
InChIInChI=1S/C16H27NO/c1-6-8-15(17-7-2)11-18-16-13(4)9-12(3)10-14(16)5/h9-10,15,17H,6-8,11H2,1-5H3
InChIKeyCBHCSDFBVXLVBZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.77
Rot. Bonds7

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

N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine (PubChem CID 62042780) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine
PubChem CID62042780
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine
SMILESCCCC(COc1c(C)cc(C)cc1C)NCC
InChIInChI=1S/C16H27NO/c1-6-8-15(17-7-2)11-18-16-13(4)9-12(3)10-14(16)5/h9-10,15,17H,6-8,11H2,1-5H3
InChIKeyCBHCSDFBVXLVBZ-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine?
The IUPAC name of N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine (CID 62042780) is N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine.
What is the SMILES notation for N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine?
The canonical SMILES for N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine is CCCC(COc1c(C)cc(C)cc1C)NCC.
What is the InChIKey of N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine?
The InChIKey is CBHCSDFBVXLVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-8-15(17-7-2)11-18-16-13(4)9-12(3)10-14(16)5/h9-10,15,17H,6-8,11H2,1-5H3.
What are the key properties of N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine?
N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.77, 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-trimethylphenoxy)pentan-2-amine is sourced from PubChem (CID 62042780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).