2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine

C17H25F2NO — CID 114932716

IUPAC2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
SMILESCCNC(Cc1c(F)cccc1F)C1(OC)CCCCC1
InChIInChI=1S/C17H25F2NO/c1-3-20-16(17(21-2)10-5-4-6-11-17)12-13-14(18)8-7-9-15(13)19/h7-9,16,20H,3-6,10-12H2,1-2H3
InChIKeyLQHPUGVQZRQRSJ-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.83
Rot. Bonds6

About 2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine

2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine (PubChem CID 114932716) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
PubChem CID114932716
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
SMILESCCNC(Cc1c(F)cccc1F)C1(OC)CCCCC1
InChIInChI=1S/C17H25F2NO/c1-3-20-16(17(21-2)10-5-4-6-11-17)12-13-14(18)8-7-9-15(13)19/h7-9,16,20H,3-6,10-12H2,1-2H3
InChIKeyLQHPUGVQZRQRSJ-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-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 116763203
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714589
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 103049169
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
CID 114856992
[2-(2,6-difluorophenyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 105276415
2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
CID 104611298
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 116763206
N-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766591
N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine
CID 116763351
2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764901
2-(3-chlorophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714621
[2-(2-fluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105276009

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine?
The IUPAC name of 2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine (CID 114932716) is 2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine is CCNC(Cc1c(F)cccc1F)C1(OC)CCCCC1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine?
The InChIKey is LQHPUGVQZRQRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-3-20-16(17(21-2)10-5-4-6-11-17)12-13-14(18)8-7-9-15(13)19/h7-9,16,20H,3-6,10-12H2,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine?
2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine 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-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine is sourced from PubChem (CID 114932716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).