1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine

C18H28FNO — CID 116764071

IUPAC1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)C1(OCC)CCCCC1
InChIInChI=1S/C18H28FNO/c1-3-20-17(14-15-9-8-10-16(19)13-15)18(21-4-2)11-6-5-7-12-18/h8-10,13,17,20H,3-7,11-12,14H2,1-2H3
InChIKeyUOUAIUFXMWBBAL-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.09
Rot. Bonds7

About 1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine

1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine (PubChem CID 116764071) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
PubChem CID116764071
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)C1(OCC)CCCCC1
InChIInChI=1S/C18H28FNO/c1-3-20-17(14-15-9-8-10-16(19)13-15)18(21-4-2)11-6-5-7-12-18/h8-10,13,17,20H,3-7,11-12,14H2,1-2H3
InChIKeyUOUAIUFXMWBBAL-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764102
1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 116762276
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanamine
CID 116761667
1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070691
1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 116764064
N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine
CID 116771021
1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 116771017
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine
CID 116765885
[2-(3,5-difluorophenyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 105413025
1-(1-ethoxycyclopentyl)-N-ethyl-3-phenylpropan-1-amine
CID 116762128
1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116762035
2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763856

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine (CID 116764071) is 1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine is CCNC(Cc1cccc(F)c1)C1(OCC)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
The InChIKey is UOUAIUFXMWBBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-3-20-17(14-15-9-8-10-16(19)13-15)18(21-4-2)11-6-5-7-12-18/h8-10,13,17,20H,3-7,11-12,14H2,1-2H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine has a molecular weight of 293.43 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 116764071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).