N-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine

C18H28FNO — CID 116766591

IUPACN-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
SMILESCCNC(Cc1ccccc1F)C1(OC)CCC(C)CC1
InChIInChI=1S/C18H28FNO/c1-4-20-17(13-15-7-5-6-8-16(15)19)18(21-3)11-9-14(2)10-12-18/h5-8,14,17,20H,4,9-13H2,1-3H3
InChIKeyFQSLQSJQEIXKED-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.94
Rot. Bonds6

About N-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine

N-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine (PubChem CID 116766591) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
PubChem CID116766591
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC NameN-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
SMILESCCNC(Cc1ccccc1F)C1(OC)CCC(C)CC1
InChIInChI=1S/C18H28FNO/c1-4-20-17(13-15-7-5-6-8-16(15)19)18(21-3)11-9-14(2)10-12-18/h5-8,14,17,20H,4,9-13H2,1-3H3
InChIKeyFQSLQSJQEIXKED-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766631
1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 116767103
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714589
[2-(2-chloro-3-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277013
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 116763203
2-(2-fluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714161
[2-(5-chloro-2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 103053729
[2-(2-fluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105276009
2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 114932716
2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714652
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
CID 114856992
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 103049169

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine (CID 116766591) is N-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine is CCNC(Cc1ccccc1F)C1(OC)CCC(C)CC1.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine?
The InChIKey is FQSLQSJQEIXKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-4-20-17(13-15-7-5-6-8-16(15)19)18(21-3)11-9-14(2)10-12-18/h5-8,14,17,20H,4,9-13H2,1-3H3.
What are the key properties of N-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine?
N-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine has a molecular weight of 293.43 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine is sourced from PubChem (CID 116766591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).