3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol

C17H27NO2 — CID 117444880

IUPAC3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol
SMILESCOc1c(O)cc(C(C)(C)C)cc1C1(N)CCCCC1
InChIInChI=1S/C17H27NO2/c1-16(2,3)12-10-13(15(20-4)14(19)11-12)17(18)8-6-5-7-9-17/h10-11,19H,5-9,18H2,1-4H3
InChIKeyCIDUMURESFPRDK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.82
Rot. Bonds2

About 3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol

3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol (PubChem CID 117444880) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol.

Molecular Properties

Compound Name3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol
PubChem CID117444880
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol
SMILESCOc1c(O)cc(C(C)(C)C)cc1C1(N)CCCCC1
InChIInChI=1S/C17H27NO2/c1-16(2,3)12-10-13(15(20-4)14(19)11-12)17(18)8-6-5-7-9-17/h10-11,19H,5-9,18H2,1-4H3
InChIKeyCIDUMURESFPRDK-UHFFFAOYSA-N
XLogP3.82
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine
CID 117470953
3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117386077
5-(1-aminocyclobutyl)-2-tert-butyl-4-methoxyphenol
CID 117377061
3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol
CID 117296160
5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol
CID 117342981
1-(5-bromo-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117480330
1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine
CID 117482413
4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol
CID 117499856
3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117437080
1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclohexan-1-amine
CID 117441374
3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol
CID 117483401
2-(1-aminocyclohexyl)-5-chloro-4-methoxyphenol
CID 117392379

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol?
The IUPAC name of 3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol (CID 117444880) is 3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol.
What is the SMILES notation for 3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol?
The canonical SMILES for 3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol is COc1c(O)cc(C(C)(C)C)cc1C1(N)CCCCC1.
What is the InChIKey of 3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol?
The InChIKey is CIDUMURESFPRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-16(2,3)12-10-13(15(20-4)14(19)11-12)17(18)8-6-5-7-9-17/h10-11,19H,5-9,18H2,1-4H3.
What are the key properties of 3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol?
3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol has a molecular weight of 277.41 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol is sourced from PubChem (CID 117444880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).