2-(5-tert-butyl-2-methoxyphenoxy)ethanamine

C13H21NO2 — CID 96672636

IUPAC2-(5-tert-butyl-2-methoxyphenoxy)ethanamine
SMILESCOc1ccc(C(C)(C)C)cc1OCCN
InChIInChI=1S/C13H21NO2/c1-13(2,3)10-5-6-11(15-4)12(9-10)16-8-7-14/h5-6,9H,7-8,14H2,1-4H3
InChIKeyNYVWMLFHZYDLGH-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.33
Rot. Bonds4

About 2-(5-tert-butyl-2-methoxyphenoxy)ethanamine

2-(5-tert-butyl-2-methoxyphenoxy)ethanamine (PubChem CID 96672636) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methoxyphenoxy)ethanamine.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methoxyphenoxy)ethanamine
PubChem CID96672636
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(5-tert-butyl-2-methoxyphenoxy)ethanamine
SMILESCOc1ccc(C(C)(C)C)cc1OCCN
InChIInChI=1S/C13H21NO2/c1-13(2,3)10-5-6-11(15-4)12(9-10)16-8-7-14/h5-6,9H,7-8,14H2,1-4H3
InChIKeyNYVWMLFHZYDLGH-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

1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol
CID 19358537
2-(2-methoxy-4,5-dimethylphenoxy)ethanamine
CID 82491313
2-(3-tert-butyl-4-methoxyphenoxy)ethanamine
CID 96672635
4-tert-butyl-1,2-bis(3-chloropropoxy)benzene
CID 13295778
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine
CID 96672535
2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine
CID 155416860
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine
CID 54958248
4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine
CID 93185561
1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 82049197
3-(5-fluoro-2-methoxyphenoxy)propan-1-amine
CID 15034471

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methoxyphenoxy)ethanamine?
The IUPAC name of 2-(5-tert-butyl-2-methoxyphenoxy)ethanamine (CID 96672636) is 2-(5-tert-butyl-2-methoxyphenoxy)ethanamine.
What is the SMILES notation for 2-(5-tert-butyl-2-methoxyphenoxy)ethanamine?
The canonical SMILES for 2-(5-tert-butyl-2-methoxyphenoxy)ethanamine is COc1ccc(C(C)(C)C)cc1OCCN.
What is the InChIKey of 2-(5-tert-butyl-2-methoxyphenoxy)ethanamine?
The InChIKey is NYVWMLFHZYDLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,3)10-5-6-11(15-4)12(9-10)16-8-7-14/h5-6,9H,7-8,14H2,1-4H3.
What are the key properties of 2-(5-tert-butyl-2-methoxyphenoxy)ethanamine?
2-(5-tert-butyl-2-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-(5-tert-butyl-2-methoxyphenoxy)ethanamine is sourced from PubChem (CID 96672636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).