1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine

C11H21F2NO — CID 105165589

IUPAC1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine
SMILESCCNC(COC)C1CCC(F)(F)CC1
InChIInChI=1S/C11H21F2NO/c1-3-14-10(8-15-2)9-4-6-11(12,13)7-5-9/h9-10,14H,3-8H2,1-2H3
InChIKeyYJSWOOLGCYZQDY-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.44
Rot. Bonds5

About 1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine

1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine (PubChem CID 105165589) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine
PubChem CID105165589
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine
SMILESCCNC(COC)C1CCC(F)(F)CC1
InChIInChI=1S/C11H21F2NO/c1-3-14-10(8-15-2)9-4-6-11(12,13)7-5-9/h9-10,14H,3-8H2,1-2H3
InChIKeyYJSWOOLGCYZQDY-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine
CID 105165065
2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105152813
1-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660
1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105157171
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine
CID 79573964
1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine
CID 114855905
1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine
CID 105153076
1-(4,4-difluorocyclohexyl)-N,3-diethylheptan-1-amine
CID 105102951
N-ethyl-2-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79914184
1-cyclohexyl-N-ethyl-2-(2-methoxyethoxy)ethanamine
CID 104748657
2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105122810
methyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate
CID 71742057

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine (CID 105165589) is 1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine is CCNC(COC)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine?
The InChIKey is YJSWOOLGCYZQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-3-14-10(8-15-2)9-4-6-11(12,13)7-5-9/h9-10,14H,3-8H2,1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine?
1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine has a molecular weight of 221.29 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 105165589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).