2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine

C17H29NO — CID 55195033

IUPAC2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)(CC)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C17H29NO/c1-7-17(6,13-18-8-2)19-15-12-10-9-11-14(15)16(3,4)5/h9-12,18H,7-8,13H2,1-6H3
InChIKeyZIBAVYKJUNCILT-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.14
Rot. Bonds6

About 2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine

2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine (PubChem CID 55195033) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine
PubChem CID55195033
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)(CC)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C17H29NO/c1-7-17(6,13-18-8-2)19-15-12-10-9-11-14(15)16(3,4)5/h9-12,18H,7-8,13H2,1-6H3
InChIKeyZIBAVYKJUNCILT-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine 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-ethyl-2-(2-methoxyphenoxy)-2-methylbutan-1-amine
CID 62354236
N-ethyl-2-methyl-2-naphthalen-1-yloxybutan-1-amine
CID 62354633
N-ethyl-2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine
CID 62355451
3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79628769
2-(2,5-difluorophenoxy)-N-ethyl-2-methylbutan-1-amine
CID 63273363
1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66335927
2-(2-tert-butylphenoxy)-N-ethylethanamine
CID 29015338
N-ethyl-2-methyl-2-phenylmethoxybutan-1-amine
CID 62353232
N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine
CID 62353237
(2-tert-butylphenoxy)-di(propan-2-yl)phosphane
CID 11346160
2-(2-ethoxyphenyl)-1-(ethylamino)propan-2-ol
CID 62773390
2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine
CID 62354628

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine (CID 55195033) is 2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine is CCNCC(C)(CC)Oc1ccccc1C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine?
The InChIKey is ZIBAVYKJUNCILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-17(6,13-18-8-2)19-15-12-10-9-11-14(15)16(3,4)5/h9-12,18H,7-8,13H2,1-6H3.
What are the key properties of 2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine?
2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 55195033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).