1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine

C17H25F2NO — CID 116768316

IUPAC1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2c(F)cccc2F)CCCC(C)C1
InChIInChI=1S/C17H25F2NO/c1-4-21-17(10-6-7-12(2)11-17)16(20-3)15-13(18)8-5-9-14(15)19/h5,8-9,12,16,20H,4,6-7,10-11H2,1-3H3
InChIKeyIDHJJZCGUWHZRD-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.21
Rot. Bonds5

About 1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine

1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine (PubChem CID 116768316) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
PubChem CID116768316
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2c(F)cccc2F)CCCC(C)C1
InChIInChI=1S/C17H25F2NO/c1-4-21-17(10-6-7-12(2)11-17)16(20-3)15-13(18)8-5-9-14(15)19/h5,8-9,12,16,20H,4,6-7,10-11H2,1-3H3
InChIKeyIDHJJZCGUWHZRD-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768338
1-(2,3-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768334
1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 106654657
2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755178
1-(2,6-difluorophenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 104611051
[(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105277741
1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
CID 116770190
1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 116770913
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-iodophenyl)-N-methylethanamine
CID 116768271
(2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768109
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine
CID 116768285
1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116810820

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine (CID 116768316) is 1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine is CCOC1(C(NC)c2c(F)cccc2F)CCCC(C)C1.
What is the InChIKey of 1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine?
The InChIKey is IDHJJZCGUWHZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-4-21-17(10-6-7-12(2)11-17)16(20-3)15-13(18)8-5-9-14(15)19/h5,8-9,12,16,20H,4,6-7,10-11H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine?
1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine has a molecular weight of 297.39 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 116768316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).