1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine

C18H28FNO — CID 116767103

IUPAC1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccccc2F)NC)CCC(C)CC1
InChIInChI=1S/C18H28FNO/c1-4-21-18(11-9-14(2)10-12-18)17(20-3)13-15-7-5-6-8-16(15)19/h5-8,14,17,20H,4,9-13H2,1-3H3
InChIKeyPEUAPEANACAIJY-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.94
Rot. Bonds6

About 1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine

1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine (PubChem CID 116767103) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine
PubChem CID116767103
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccccc2F)NC)CCC(C)CC1
InChIInChI=1S/C18H28FNO/c1-4-21-18(11-9-14(2)10-12-18)17(20-3)13-15-7-5-6-8-16(15)19/h5-8,14,17,20H,4,9-13H2,1-3H3
InChIKeyPEUAPEANACAIJY-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

N-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766591
2-(2-fluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714161
[1-(1-ethoxycyclopentyl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105275708
[2-(2-bromophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277395
2-(3-chloro-4-pyridinyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116767226
2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116762033
2-ethoxy-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116767121
1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 116763842
1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine
CID 116766935
1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine
CID 116767108
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 116767135
1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 116767193

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine (CID 116767103) is 1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine is CCOC1(C(Cc2ccccc2F)NC)CCC(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine?
The InChIKey is PEUAPEANACAIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-4-21-18(11-9-14(2)10-12-18)17(20-3)13-15-7-5-6-8-16(15)19/h5-8,14,17,20H,4,9-13H2,1-3H3.
What are the key properties of 1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine?
1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine 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 1-(1-ethoxy-4-methylcyclohexyl)-2-(2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 116767103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).