1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine

C18H29NO2 — CID 117470953

IUPAC1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine
SMILESCOc1cc(C(C)(C)C)c(OC)c(C2(N)CCCCC2)c1
InChIInChI=1S/C18H29NO2/c1-17(2,3)14-11-13(20-4)12-15(16(14)21-5)18(19)9-7-6-8-10-18/h11-12H,6-10,19H2,1-5H3
InChIKeyJNYCFOLLMODEFC-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.12
Rot. Bonds3

About 1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine

1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine (PubChem CID 117470953) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine
PubChem CID117470953
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine
SMILESCOc1cc(C(C)(C)C)c(OC)c(C2(N)CCCCC2)c1
InChIInChI=1S/C18H29NO2/c1-17(2,3)14-11-13(20-4)12-15(16(14)21-5)18(19)9-7-6-8-10-18/h11-12H,6-10,19H2,1-5H3
InChIKeyJNYCFOLLMODEFC-UHFFFAOYSA-N
XLogP4.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine
CID 117482413
1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine
CID 117346828
3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol
CID 117444880
1-tert-butyl-3-(1-isocyanatocyclobutyl)-2,5-dimethoxybenzene
CID 117467580
1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine
CID 117391359
1-tert-butyl-3-(1-isocyanatocyclopropyl)-2,5-dimethoxybenzene
CID 117440481
1-(5-bromo-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117480330
1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 117488350
1-(2-tert-butylphenyl)cyclohexan-1-amine
CID 84794895
1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclohexan-1-amine
CID 117441374
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine
CID 117391231
5-(1-aminocyclobutyl)-2-tert-butyl-4-methoxyphenol
CID 117377061

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine (CID 117470953) is 1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine is COc1cc(C(C)(C)C)c(OC)c(C2(N)CCCCC2)c1.
What is the InChIKey of 1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine?
The InChIKey is JNYCFOLLMODEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-17(2,3)14-11-13(20-4)12-15(16(14)21-5)18(19)9-7-6-8-10-18/h11-12H,6-10,19H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine?
1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117470953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).