2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine

C18H28ClNO — CID 25904

IUPAC2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine
SMILESCCN(CC)CCOC1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C18H28ClNO/c1-3-20(4-2)14-15-21-18(12-6-5-7-13-18)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15H2,1-2H3
InChIKeyFFCARBNHUSWRGK-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.86
Rot. Bonds7

About 2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine

2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine (PubChem CID 25904) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine
PubChem CID25904
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine
SMILESCCN(CC)CCOC1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C18H28ClNO/c1-3-20(4-2)14-15-21-18(12-6-5-7-13-18)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15H2,1-2H3
InChIKeyFFCARBNHUSWRGK-UHFFFAOYSA-N
XLogP4.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine?
The IUPAC name of 2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine (CID 25904) is 2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine.
What is the SMILES notation for 2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine?
The canonical SMILES for 2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine is CCN(CC)CCOC1(c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine?
The InChIKey is FFCARBNHUSWRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-3-20(4-2)14-15-21-18(12-6-5-7-13-18)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15H2,1-2H3.
What are the key properties of 2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine?
2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine has a molecular weight of 309.88 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine is sourced from PubChem (CID 25904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).