2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine

C20H33N — CID 63413965

IUPAC2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine
SMILESCCNC(Cc1ccc(C(C)(C)C)cc1)C1CCCCC1
InChIInChI=1S/C20H33N/c1-5-21-19(17-9-7-6-8-10-17)15-16-11-13-18(14-12-16)20(2,3)4/h11-14,17,19,21H,5-10,15H2,1-4H3
InChIKeyJAPAUKSUGHDZIQ-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.09
Rot. Bonds5

About 2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine

2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine (PubChem CID 63413965) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine
PubChem CID63413965
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine
SMILESCCNC(Cc1ccc(C(C)(C)C)cc1)C1CCCCC1
InChIInChI=1S/C20H33N/c1-5-21-19(17-9-7-6-8-10-17)15-16-11-13-18(14-12-16)20(2,3)4/h11-14,17,19,21H,5-10,15H2,1-4H3
InChIKeyJAPAUKSUGHDZIQ-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528977
1-cyclobutyl-N-ethyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55040821
1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 65018192
2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115842866
1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine
CID 65478174
1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103168468
2-(4-tert-butylphenyl)-1-cyclohexylethanamine
CID 63411930
2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 103039852
N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine
CID 65018486
N-ethyl-2-(4-ethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415397
1-cyclopropyl-N-ethyl-2-pyridin-4-ylethanamine
CID 63355352
3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine
CID 112569630

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine (CID 63413965) is 2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine is CCNC(Cc1ccc(C(C)(C)C)cc1)C1CCCCC1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine?
The InChIKey is JAPAUKSUGHDZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-5-21-19(17-9-7-6-8-10-17)15-16-11-13-18(14-12-16)20(2,3)4/h11-14,17,19,21H,5-10,15H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine?
2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine has a molecular weight of 287.49 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine is sourced from PubChem (CID 63413965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).