2-(2-tert-butylphenoxy)-1-cyclopropyl-N-ethylethanamine

C17H27NO — CID 63912498

IUPAC2-(2-tert-butylphenoxy)-1-cyclopropyl-N-ethylethanamine
SMILESCCNC(COc1ccccc1C(C)(C)C)C1CC1
InChIInChI=1S/C17H27NO/c1-5-18-15(13-10-11-13)12-19-16-9-7-6-8-14(16)17(2,3)4/h6-9,13,15,18H,5,10-12H2,1-4H3
InChIKeyGRBWBTBYNMKTOP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.75
Rot. Bonds6

About 2-(2-tert-butylphenoxy)-1-cyclopropyl-N-ethylethanamine

2-(2-tert-butylphenoxy)-1-cyclopropyl-N-ethylethanamine (PubChem CID 63912498) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-1-cyclopropyl-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-1-cyclopropyl-N-ethylethanamine
PubChem CID63912498
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(2-tert-butylphenoxy)-1-cyclopropyl-N-ethylethanamine
SMILESCCNC(COc1ccccc1C(C)(C)C)C1CC1
InChIInChI=1S/C17H27NO/c1-5-18-15(13-10-11-13)12-19-16-9-7-6-8-14(16)17(2,3)4/h6-9,13,15,18H,5,10-12H2,1-4H3
InChIKeyGRBWBTBYNMKTOP-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine
CID 63913135
2-(2-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104748352
1-cyclopropyl-N-ethyl-2-(2-ethylphenoxy)ethanamine
CID 63906895
1-cyclopentyl-N-ethyl-2-(2-fluorophenoxy)ethanamine
CID 113448545
2-(2-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748356
1-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylethanamine
CID 63914242
1-tert-butyl-2-(2,2-diethoxyethoxy)benzene
CID 13416777
1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine
CID 63908353
1-(2-tert-butylphenoxy)propan-2-amine
CID 16795188
N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine
CID 115778732
2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748355
N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine
CID 104748399

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-1-cyclopropyl-N-ethylethanamine?
The IUPAC name of 2-(2-tert-butylphenoxy)-1-cyclopropyl-N-ethylethanamine (CID 63912498) is 2-(2-tert-butylphenoxy)-1-cyclopropyl-N-ethylethanamine.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-1-cyclopropyl-N-ethylethanamine?
The canonical SMILES for 2-(2-tert-butylphenoxy)-1-cyclopropyl-N-ethylethanamine is CCNC(COc1ccccc1C(C)(C)C)C1CC1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-1-cyclopropyl-N-ethylethanamine?
The InChIKey is GRBWBTBYNMKTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-18-15(13-10-11-13)12-19-16-9-7-6-8-14(16)17(2,3)4/h6-9,13,15,18H,5,10-12H2,1-4H3.
What are the key properties of 2-(2-tert-butylphenoxy)-1-cyclopropyl-N-ethylethanamine?
2-(2-tert-butylphenoxy)-1-cyclopropyl-N-ethylethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.75, 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)-1-cyclopropyl-N-ethylethanamine is sourced from PubChem (CID 63912498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).