2-(3-tert-butylphenoxy)-N,N-diethylethanamine

C16H27NO — CID 20619676

IUPAC2-(3-tert-butylphenoxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOc1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H27NO/c1-6-17(7-2)11-12-18-15-10-8-9-14(13-15)16(3,4)5/h8-10,13H,6-7,11-12H2,1-5H3
InChIKeyUDEUVIFRKUJYEL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.70
Rot. Bonds6

About 2-(3-tert-butylphenoxy)-N,N-diethylethanamine

2-(3-tert-butylphenoxy)-N,N-diethylethanamine (PubChem CID 20619676) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-N,N-diethylethanamine
PubChem CID20619676
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-(3-tert-butylphenoxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOc1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H27NO/c1-6-17(7-2)11-12-18-15-10-8-9-14(13-15)16(3,4)5/h8-10,13H,6-7,11-12H2,1-5H3
InChIKeyUDEUVIFRKUJYEL-UHFFFAOYSA-N
XLogP3.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-tert-butylphenoxy)-N,N-diethylethanamine 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,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine
CID 2993848
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 2993847
3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010
3-[2-(diethylamino)ethoxy]-N,N-dimethylaniline
CID 58006190
3-[2-(diethylamino)ethoxy]benzonitrile
CID 22683313
1-tert-butyl-3-(5-methoxypentoxy)benzene
CID 71001678
3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100
4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 79359889
1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol
CID 79389653
4-[3-[2-(diethylamino)ethoxy]phenoxy]benzene-1,2-diamine
CID 21451827
(2S)-4-(3-tert-butylphenoxy)butan-2-amine
CID 39245152
1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine
CID 54929499

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-N,N-diethylethanamine?
The IUPAC name of 2-(3-tert-butylphenoxy)-N,N-diethylethanamine (CID 20619676) is 2-(3-tert-butylphenoxy)-N,N-diethylethanamine.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-N,N-diethylethanamine?
The canonical SMILES for 2-(3-tert-butylphenoxy)-N,N-diethylethanamine is CCN(CC)CCOc1cccc(C(C)(C)C)c1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-N,N-diethylethanamine?
The InChIKey is UDEUVIFRKUJYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-17(7-2)11-12-18-15-10-8-9-14(13-15)16(3,4)5/h8-10,13H,6-7,11-12H2,1-5H3.
What are the key properties of 2-(3-tert-butylphenoxy)-N,N-diethylethanamine?
2-(3-tert-butylphenoxy)-N,N-diethylethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-N,N-diethylethanamine is sourced from PubChem (CID 20619676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).