1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine

C15H25NO2 — CID 62038909

IUPAC1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine
SMILESCCC(N)COc1ccc(OC)cc1C(C)(C)C
InChIInChI=1S/C15H25NO2/c1-6-11(16)10-18-14-8-7-12(17-5)9-13(14)15(2,3)4/h7-9,11H,6,10,16H2,1-5H3
InChIKeyUGZAPVFCJXZXCW-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.11
Rot. Bonds5

About 1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine

1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine (PubChem CID 62038909) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine.

Molecular Properties

Compound Name1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine
PubChem CID62038909
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine
SMILESCCC(N)COc1ccc(OC)cc1C(C)(C)C
InChIInChI=1S/C15H25NO2/c1-6-11(16)10-18-14-8-7-12(17-5)9-13(14)15(2,3)4/h7-9,11H,6,10,16H2,1-5H3
InChIKeyUGZAPVFCJXZXCW-UHFFFAOYSA-N
XLogP3.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 60879729
2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-1-ol
CID 64805134
[(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 100798601
1-(2-tert-butyl-4-methoxyphenoxy)-3-(ethylamino)propan-2-ol
CID 43090696
2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopropyl-N-ethylethanamine
CID 63913135
1-amino-4-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 64812535
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 2133971
2-amino-4-(2-tert-butyl-4-methoxyphenoxy)butanoic acid
CID 63039139
1-(3-bromopropoxy)-2-tert-butyl-4-methoxybenzene
CID 43135423
(2R)-1-(4-tert-butylphenoxy)butan-2-amine
CID 94338350
1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]propan-1-amine
CID 82263941
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 41135244

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine?
The IUPAC name of 1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine (CID 62038909) is 1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine.
What is the SMILES notation for 1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine?
The canonical SMILES for 1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine is CCC(N)COc1ccc(OC)cc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine?
The InChIKey is UGZAPVFCJXZXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-11(16)10-18-14-8-7-12(17-5)9-13(14)15(2,3)4/h7-9,11H,6,10,16H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine?
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-methoxyphenoxy)butan-2-amine is sourced from PubChem (CID 62038909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).