2-(4-chlorophenoxy)-1-(2-ethylcyclohexyl)ethanamine

C16H24ClNO — CID 105151113

IUPAC2-(4-chlorophenoxy)-1-(2-ethylcyclohexyl)ethanamine
SMILESCCC1CCCCC1C(N)COc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-2-12-5-3-4-6-15(12)16(18)11-19-14-9-7-13(17)8-10-14/h7-10,12,15-16H,2-6,11,18H2,1H3
InChIKeyKSRJOQFOQRVUAL-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.26
Rot. Bonds5

About 2-(4-chlorophenoxy)-1-(2-ethylcyclohexyl)ethanamine

2-(4-chlorophenoxy)-1-(2-ethylcyclohexyl)ethanamine (PubChem CID 105151113) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(2-ethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(2-ethylcyclohexyl)ethanamine
PubChem CID105151113
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-(4-chlorophenoxy)-1-(2-ethylcyclohexyl)ethanamine
SMILESCCC1CCCCC1C(N)COc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-2-12-5-3-4-6-15(12)16(18)11-19-14-9-7-13(17)8-10-14/h7-10,12,15-16H,2-6,11,18H2,1H3
InChIKeyKSRJOQFOQRVUAL-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine
CID 117238932
2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 117237457
1-(2-ethylcyclohexyl)-2-propoxyethanamine
CID 63862730
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
2-(4-chlorophenoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 105189139
2-(4-chlorophenoxy)-1-cycloheptylethanol
CID 105122069
1-(2-ethylcyclohexyl)-2-phenylethanamine
CID 63862721
N-ethyl-1-(2-ethylcyclohexyl)-2-phenoxyethanamine
CID 63862380
(3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine
CID 63863285
1-(2-ethylcyclohexyl)-3-methylbutan-1-amine
CID 63863455
[2-(4-chlorophenoxy)-1-cyclobutylethyl]hydrazine
CID 105340102
1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
CID 105100781

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(2-ethylcyclohexyl)ethanamine?
The IUPAC name of 2-(4-chlorophenoxy)-1-(2-ethylcyclohexyl)ethanamine (CID 105151113) is 2-(4-chlorophenoxy)-1-(2-ethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(2-ethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(2-ethylcyclohexyl)ethanamine is CCC1CCCCC1C(N)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(2-ethylcyclohexyl)ethanamine?
The InChIKey is KSRJOQFOQRVUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-2-12-5-3-4-6-15(12)16(18)11-19-14-9-7-13(17)8-10-14/h7-10,12,15-16H,2-6,11,18H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(2-ethylcyclohexyl)ethanamine?
2-(4-chlorophenoxy)-1-(2-ethylcyclohexyl)ethanamine has a molecular weight of 281.83 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(2-ethylcyclohexyl)ethanamine is sourced from PubChem (CID 105151113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).