2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine

C17H25F2NO — CID 116763856

IUPAC2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccc(F)c(F)c2)NC)CCCCC1
InChIInChI=1S/C17H25F2NO/c1-3-21-17(9-5-4-6-10-17)16(20-2)12-13-7-8-14(18)15(19)11-13/h7-8,11,16,20H,3-6,9-10,12H2,1-2H3
InChIKeyVKYNFUYLBPYERI-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.83
Rot. Bonds6

About 2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine

2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine (PubChem CID 116763856) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
PubChem CID116763856
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccc(F)c(F)c2)NC)CCCCC1
InChIInChI=1S/C17H25F2NO/c1-3-21-17(9-5-4-6-10-17)16(20-2)12-13-7-8-14(18)15(19)11-13/h7-8,11,16,20H,3-6,9-10,12H2,1-2H3
InChIKeyVKYNFUYLBPYERI-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763865
1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 116770809
1-(1-ethoxycyclopentyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 116761943
1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116762035
1-(1-ethoxycyclohexyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348398
[2-(4-chlorophenyl)-1-(1-ethoxycycloheptyl)ethyl]hydrazine
CID 105278524
1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 116764071
[2-(3,5-difluorophenyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 105413025
2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 116755817
2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764102
2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116763039
[(3,4-difluorophenyl)-(1-ethoxycyclopentyl)methyl]hydrazine
CID 105275720

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine (CID 116763856) is 2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine is CCOC1(C(Cc2ccc(F)c(F)c2)NC)CCCCC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine?
The InChIKey is VKYNFUYLBPYERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-3-21-17(9-5-4-6-10-17)16(20-2)12-13-7-8-14(18)15(19)11-13/h7-8,11,16,20H,3-6,9-10,12H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine?
2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine has a molecular weight of 297.39 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine is sourced from PubChem (CID 116763856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).