2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine

C18H29N — CID 115482007

IUPAC2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine
SMILESCCc1ccc(C(N)CC2CCCCC2)cc1CC
InChIInChI=1S/C18H29N/c1-3-15-10-11-17(13-16(15)4-2)18(19)12-14-8-6-5-7-9-14/h10-11,13-14,18H,3-9,12,19H2,1-2H3
InChIKeyGIBKNNSQVYBNJF-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.78
Rot. Bonds5

About 2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine

2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine (PubChem CID 115482007) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine
PubChem CID115482007
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine
SMILESCCc1ccc(C(N)CC2CCCCC2)cc1CC
InChIInChI=1S/C18H29N/c1-3-15-10-11-17(13-16(15)4-2)18(19)12-14-8-6-5-7-9-14/h10-11,13-14,18H,3-9,12,19H2,1-2H3
InChIKeyGIBKNNSQVYBNJF-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine
CID 115482308
2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
CID 114457625
5-(1-amino-2-cyclohexylethyl)-1,3-dimethylbenzimidazol-2-one
CID 62299908
1-(4-tert-butylphenyl)-2-cycloheptylethanamine
CID 114457473
1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482256
2-cycloheptyl-1-(3-propylphenyl)ethanamine
CID 105050523
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 63504313
2-cyclohexyl-1-(4-iodophenyl)ethanamine
CID 115841897
2-cyclopentyl-1-(2-ethylphenyl)ethanamine
CID 115847413
2-cycloheptyl-1-phenylethanamine
CID 21261900
1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine
CID 114457720
2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine
CID 105022380

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine?
The IUPAC name of 2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine (CID 115482007) is 2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine is CCc1ccc(C(N)CC2CCCCC2)cc1CC.
What is the InChIKey of 2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine?
The InChIKey is GIBKNNSQVYBNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-15-10-11-17(13-16(15)4-2)18(19)12-14-8-6-5-7-9-14/h10-11,13-14,18H,3-9,12,19H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine?
2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.78, 5 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)ethanamine is sourced from PubChem (CID 115482007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).