5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol

C14H21NO2 — CID 117342981

IUPAC5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol
SMILESCOc1cc(C(C)(C)C)c(O)cc1C1(N)CC1
InChIInChI=1S/C14H21NO2/c1-13(2,3)9-8-12(17-4)10(7-11(9)16)14(15)5-6-14/h7-8,16H,5-6,15H2,1-4H3
InChIKeyHMXYTRGSTQYUFF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.65
Rot. Bonds2

About 5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol

5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol (PubChem CID 117342981) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol.

Molecular Properties

Compound Name5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol
PubChem CID117342981
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol
SMILESCOc1cc(C(C)(C)C)c(O)cc1C1(N)CC1
InChIInChI=1S/C14H21NO2/c1-13(2,3)9-8-12(17-4)10(7-11(9)16)14(15)5-6-14/h7-8,16H,5-6,15H2,1-4H3
InChIKeyHMXYTRGSTQYUFF-UHFFFAOYSA-N
XLogP2.65
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-aminocyclobutyl)-2-tert-butyl-4-methoxyphenol
CID 117377061
1-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117446135
4-(1-aminocyclopropyl)-3-methoxyphenol
CID 84732182
2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol
CID 117349561
2-tert-butyl-5-chloro-4-methoxyphenol
CID 134599266
2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol
CID 84783043
2-(1-aminocyclopropyl)-4-hydroxy-5-methoxybenzoic acid
CID 105480283
3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol
CID 117444880
5-(1-aminocyclopentyl)-4-fluoro-2-methoxyphenol
CID 117323526
6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol
CID 117296164
1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 117488350
5-tert-butyl-2-(2-iodopropan-2-yl)-4-methoxyphenol
CID 126635060

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol?
The IUPAC name of 5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol (CID 117342981) is 5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol.
What is the SMILES notation for 5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol?
The canonical SMILES for 5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol is COc1cc(C(C)(C)C)c(O)cc1C1(N)CC1.
What is the InChIKey of 5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol?
The InChIKey is HMXYTRGSTQYUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-13(2,3)9-8-12(17-4)10(7-11(9)16)14(15)5-6-14/h7-8,16H,5-6,15H2,1-4H3.
What are the key properties of 5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol?
5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol has a molecular weight of 235.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol is sourced from PubChem (CID 117342981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).