2-(3,3-difluorocyclohexyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine

C13H23F2NO2 — CID 114225829

IUPAC2-(3,3-difluorocyclohexyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
SMILESCNC(CC1CCCC(F)(F)C1)C1COCCO1
InChIInChI=1S/C13H23F2NO2/c1-16-11(12-9-17-5-6-18-12)7-10-3-2-4-13(14,15)8-10/h10-12,16H,2-9H2,1H3
InChIKeyJHOUCKGKLPDYKG-UHFFFAOYSA-N
MW263.33 g/mol
LogP2.21
Rot. Bonds4

About 2-(3,3-difluorocyclohexyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine

2-(3,3-difluorocyclohexyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine (PubChem CID 114225829) has the molecular formula C13H23F2NO2 and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
PubChem CID114225829
Molecular FormulaC13H23F2NO2
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name2-(3,3-difluorocyclohexyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
SMILESCNC(CC1CCCC(F)(F)C1)C1COCCO1
InChIInChI=1S/C13H23F2NO2/c1-16-11(12-9-17-5-6-18-12)7-10-3-2-4-13(14,15)8-10/h10-12,16H,2-9H2,1H3
InChIKeyJHOUCKGKLPDYKG-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxan-4-amine
CID 75445090
N-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]propan-2-amine
CID 13370193
N-(oxan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 60977329
N,4-dipropyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61754694
N-methyl-4-propyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61755097
4-ethyl-N-methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61755496
N-ethyl-4-propyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61756097
N,4-diethyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61756100
4-ethyl-N-propyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61756907
2-propyl-N-[4-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 64100729
2-ethyl-N-[4-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 64100929
2-propyl-N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 64100967

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine (CID 114225829) is 2-(3,3-difluorocyclohexyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine is CNC(CC1CCCC(F)(F)C1)C1COCCO1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine?
The InChIKey is JHOUCKGKLPDYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO2/c1-16-11(12-9-17-5-6-18-12)7-10-3-2-4-13(14,15)8-10/h10-12,16H,2-9H2,1H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine?
2-(3,3-difluorocyclohexyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine has a molecular weight of 263.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine is sourced from PubChem (CID 114225829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).