2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine

C17H26ClNO — CID 116768047

IUPAC2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
SMILESCCOC1(C(N)Cc2ccc(Cl)cc2)CCCC(C)C1
InChIInChI=1S/C17H26ClNO/c1-3-20-17(10-4-5-13(2)12-17)16(19)11-14-6-8-15(18)9-7-14/h6-9,13,16H,3-5,10-12,19H2,1-2H3
InChIKeyAAUQAAHBBABRHK-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.20
Rot. Bonds5

About 2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine

2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine (PubChem CID 116768047) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
PubChem CID116768047
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
SMILESCCOC1(C(N)Cc2ccc(Cl)cc2)CCCC(C)C1
InChIInChI=1S/C17H26ClNO/c1-3-20-17(10-4-5-13(2)12-17)16(19)11-14-6-8-15(18)9-7-14/h6-9,13,16H,3-5,10-12,19H2,1-2H3
InChIKeyAAUQAAHBBABRHK-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine
CID 116768003
1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 116768070
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 102619404
(4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755230
2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768183
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348409
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 116768134
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
CID 116768089
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol
CID 116755215
1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine
CID 116767493
2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 103040524

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine (CID 116768047) is 2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine is CCOC1(C(N)Cc2ccc(Cl)cc2)CCCC(C)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine?
The InChIKey is AAUQAAHBBABRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-3-20-17(10-4-5-13(2)12-17)16(19)11-14-6-8-15(18)9-7-14/h6-9,13,16H,3-5,10-12,19H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine?
2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine has a molecular weight of 295.85 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 116768047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).