2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine

C20H33N — CID 115482308

IUPAC2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine
SMILESCCNC(CC1CCCCC1)c1ccc(CC)c(CC)c1
InChIInChI=1S/C20H33N/c1-4-17-12-13-19(15-18(17)5-2)20(21-6-3)14-16-10-8-7-9-11-16/h12-13,15-16,20-21H,4-11,14H2,1-3H3
InChIKeyAGRUJAYIYCWRSV-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.43
Rot. Bonds7

About 2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine

2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine (PubChem CID 115482308) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine
PubChem CID115482308
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine
SMILESCCNC(CC1CCCCC1)c1ccc(CC)c(CC)c1
InChIInChI=1S/C20H33N/c1-4-17-12-13-19(15-18(17)5-2)20(21-6-3)14-16-10-8-7-9-11-16/h12-13,15-16,20-21H,4-11,14H2,1-3H3
InChIKeyAGRUJAYIYCWRSV-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine
CID 115482007
1-(4-chloro-3-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 107992592
1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 113337189
2-cyclohexyl-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755115
2-cycloheptyl-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 115854866
6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 103162895
1-(3-cyclobutylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105053655
1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine
CID 103162893
1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482256
N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 43493979
2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 114457580
2-cyclopentyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 105051728

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine?
The IUPAC name of 2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine (CID 115482308) is 2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine is CCNC(CC1CCCCC1)c1ccc(CC)c(CC)c1.
What is the InChIKey of 2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine?
The InChIKey is AGRUJAYIYCWRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-4-17-12-13-19(15-18(17)5-2)20(21-6-3)14-16-10-8-7-9-11-16/h12-13,15-16,20-21H,4-11,14H2,1-3H3.
What are the key properties of 2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine?
2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine has a molecular weight of 287.49 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine is sourced from PubChem (CID 115482308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).