2-butoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]ethanamine

C17H29NO2 — CID 62597704

IUPAC2-butoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]ethanamine
SMILESCCCCOCCNCCOc1c(C)ccc(C)c1C
InChIInChI=1S/C17H29NO2/c1-5-6-11-19-12-9-18-10-13-20-17-15(3)8-7-14(2)16(17)4/h7-8,18H,5-6,9-13H2,1-4H3
InChIKeyXMQSGLIBLXYWKV-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.40
Rot. Bonds10

About 2-butoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]ethanamine

2-butoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]ethanamine (PubChem CID 62597704) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-butoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]ethanamine
PubChem CID62597704
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-butoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]ethanamine
SMILESCCCCOCCNCCOc1c(C)ccc(C)c1C
InChIInChI=1S/C17H29NO2/c1-5-6-11-19-12-9-18-10-13-20-17-15(3)8-7-14(2)16(17)4/h7-8,18H,5-6,9-13H2,1-4H3
InChIKeyXMQSGLIBLXYWKV-UHFFFAOYSA-N
XLogP3.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(2,3,6-trimethylphenoxy)ethyl]butan-1-amine
CID 2262500
N-butyl-4-(2,3,6-trimethylphenoxy)butan-1-amine;hydrochloride
CID 2866081
2-butoxy-N-[2-(2-fluoro-3-methylphenoxy)ethyl]ethanamine
CID 107661426
2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine
CID 62582718
N-benzyl-2-(2,3,6-trimethylphenoxy)ethanamine
CID 39368491
2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 103175707
N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2276677
2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine
CID 55092985
2-(3-bromopropoxy)-1,3,4-trimethylbenzene
CID 43345569
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine
CID 62571535
2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
CID 55088257

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]ethanamine?
The IUPAC name of 2-butoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]ethanamine (CID 62597704) is 2-butoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]ethanamine is CCCCOCCNCCOc1c(C)ccc(C)c1C.
What is the InChIKey of 2-butoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]ethanamine?
The InChIKey is XMQSGLIBLXYWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-6-11-19-12-9-18-10-13-20-17-15(3)8-7-14(2)16(17)4/h7-8,18H,5-6,9-13H2,1-4H3.
What are the key properties of 2-butoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]ethanamine?
2-butoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]ethanamine has a molecular weight of 279.42 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]ethanamine is sourced from PubChem (CID 62597704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).