2-(3-tert-butyl-4-methoxyphenoxy)ethanamine

C13H21NO2 — CID 96672635

IUPAC2-(3-tert-butyl-4-methoxyphenoxy)ethanamine
SMILESCOc1ccc(OCCN)cc1C(C)(C)C
InChIInChI=1S/C13H21NO2/c1-13(2,3)11-9-10(16-8-7-14)5-6-12(11)15-4/h5-6,9H,7-8,14H2,1-4H3
InChIKeyUMMZDBJHINJUIM-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.33
Rot. Bonds4

About 2-(3-tert-butyl-4-methoxyphenoxy)ethanamine

2-(3-tert-butyl-4-methoxyphenoxy)ethanamine (PubChem CID 96672635) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(3-tert-butyl-4-methoxyphenoxy)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butyl-4-methoxyphenoxy)ethanamine
PubChem CID96672635
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(3-tert-butyl-4-methoxyphenoxy)ethanamine
SMILESCOc1ccc(OCCN)cc1C(C)(C)C
InChIInChI=1S/C13H21NO2/c1-13(2,3)11-9-10(16-8-7-14)5-6-12(11)15-4/h5-6,9H,7-8,14H2,1-4H3
InChIKeyUMMZDBJHINJUIM-UHFFFAOYSA-N
XLogP2.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-3-methoxyphenoxy)ethanamine
CID 83697045
2-(5-tert-butyl-2-methoxyphenoxy)ethanamine
CID 96672636
5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentan-1-amine
CID 65256212
2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene
CID 13056323
1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 64812535
3-[2-tert-butyl-4-(trifluoromethoxy)phenoxy]propan-1-amine
CID 89492673
1-(3-bromopropoxy)-2-tert-butyl-4-methoxybenzene
CID 43135423
1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine
CID 82048896
2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-1-ol
CID 64805134
N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195388
3-(2-tert-butyl-4-methoxyphenoxy)propanoic acid
CID 16771116
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine
CID 62038909

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-4-methoxyphenoxy)ethanamine?
The IUPAC name of 2-(3-tert-butyl-4-methoxyphenoxy)ethanamine (CID 96672635) is 2-(3-tert-butyl-4-methoxyphenoxy)ethanamine.
What is the SMILES notation for 2-(3-tert-butyl-4-methoxyphenoxy)ethanamine?
The canonical SMILES for 2-(3-tert-butyl-4-methoxyphenoxy)ethanamine is COc1ccc(OCCN)cc1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butyl-4-methoxyphenoxy)ethanamine?
The InChIKey is UMMZDBJHINJUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,3)11-9-10(16-8-7-14)5-6-12(11)15-4/h5-6,9H,7-8,14H2,1-4H3.
What are the key properties of 2-(3-tert-butyl-4-methoxyphenoxy)ethanamine?
2-(3-tert-butyl-4-methoxyphenoxy)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-4-methoxyphenoxy)ethanamine is sourced from PubChem (CID 96672635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).