2-(4-tert-butylphenyl)-2-(4,4-dimethoxycyclohexyl)ethanamine

C20H33NO2 — CID 83977110

IUPAC2-(4-tert-butylphenyl)-2-(4,4-dimethoxycyclohexyl)ethanamine
SMILESCOC1(OC)CCC(C(CN)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C20H33NO2/c1-19(2,3)17-8-6-15(7-9-17)18(14-21)16-10-12-20(22-4,23-5)13-11-16/h6-9,16,18H,10-14,21H2,1-5H3
InChIKeyUGBBYHKKABBNJP-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.21
Rot. Bonds5

About 2-(4-tert-butylphenyl)-2-(4,4-dimethoxycyclohexyl)ethanamine

2-(4-tert-butylphenyl)-2-(4,4-dimethoxycyclohexyl)ethanamine (PubChem CID 83977110) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-(4,4-dimethoxycyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-(4,4-dimethoxycyclohexyl)ethanamine
PubChem CID83977110
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name2-(4-tert-butylphenyl)-2-(4,4-dimethoxycyclohexyl)ethanamine
SMILESCOC1(OC)CCC(C(CN)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C20H33NO2/c1-19(2,3)17-8-6-15(7-9-17)18(14-21)16-10-12-20(22-4,23-5)13-11-16/h6-9,16,18H,10-14,21H2,1-5H3
InChIKeyUGBBYHKKABBNJP-UHFFFAOYSA-N
XLogP4.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-(4,4-dimethoxycyclohexyl)ethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-2-(4,4-dimethoxycyclohexyl)ethanamine (CID 83977110) is 2-(4-tert-butylphenyl)-2-(4,4-dimethoxycyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-(4,4-dimethoxycyclohexyl)ethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-(4,4-dimethoxycyclohexyl)ethanamine is COC1(OC)CCC(C(CN)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-(4,4-dimethoxycyclohexyl)ethanamine?
The InChIKey is UGBBYHKKABBNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-19(2,3)17-8-6-15(7-9-17)18(14-21)16-10-12-20(22-4,23-5)13-11-16/h6-9,16,18H,10-14,21H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-2-(4,4-dimethoxycyclohexyl)ethanamine?
2-(4-tert-butylphenyl)-2-(4,4-dimethoxycyclohexyl)ethanamine has a molecular weight of 319.49 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-(4,4-dimethoxycyclohexyl)ethanamine is sourced from PubChem (CID 83977110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).