1-(4,4-difluorocyclohexyl)-N-methyl-2-propan-2-yloxyethanamine

C12H23F2NO — CID 105168239

IUPAC1-(4,4-difluorocyclohexyl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCNC(COC(C)C)C1CCC(F)(F)CC1
InChIInChI=1S/C12H23F2NO/c1-9(2)16-8-11(15-3)10-4-6-12(13,14)7-5-10/h9-11,15H,4-8H2,1-3H3
InChIKeyMHMBBWMZUPFNAM-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.82
Rot. Bonds5

About 1-(4,4-difluorocyclohexyl)-N-methyl-2-propan-2-yloxyethanamine

1-(4,4-difluorocyclohexyl)-N-methyl-2-propan-2-yloxyethanamine (PubChem CID 105168239) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-methyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-methyl-2-propan-2-yloxyethanamine
PubChem CID105168239
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name1-(4,4-difluorocyclohexyl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCNC(COC(C)C)C1CCC(F)(F)CC1
InChIInChI=1S/C12H23F2NO/c1-9(2)16-8-11(15-3)10-4-6-12(13,14)7-5-10/h9-11,15H,4-8H2,1-3H3
InChIKeyMHMBBWMZUPFNAM-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-N-methyl-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-methyl-2-propan-2-yloxyethanamine (CID 105168239) is 1-(4,4-difluorocyclohexyl)-N-methyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-methyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-methyl-2-propan-2-yloxyethanamine is CNC(COC(C)C)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-methyl-2-propan-2-yloxyethanamine?
The InChIKey is MHMBBWMZUPFNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-9(2)16-8-11(15-3)10-4-6-12(13,14)7-5-10/h9-11,15H,4-8H2,1-3H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-methyl-2-propan-2-yloxyethanamine?
1-(4,4-difluorocyclohexyl)-N-methyl-2-propan-2-yloxyethanamine has a molecular weight of 235.32 g/mol, XLogP of 2.82, 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-methyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 105168239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).