N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine

C12H23F2NO — CID 82006256

IUPACN-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(OCC(F)F)CCCCC1
InChIInChI=1S/C12H23F2NO/c1-10(2)15-9-12(16-8-11(13)14)6-4-3-5-7-12/h10-11,15H,3-9H2,1-2H3
InChIKeyXDBGADPQZORLQD-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.97
Rot. Bonds6

About N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine

N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine (PubChem CID 82006256) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine
PubChem CID82006256
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC NameN-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(OCC(F)F)CCCCC1
InChIInChI=1S/C12H23F2NO/c1-10(2)15-9-12(16-8-11(13)14)6-4-3-5-7-12/h10-11,15H,3-9H2,1-2H3
InChIKeyXDBGADPQZORLQD-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2,2-difluoroethoxy)-4-methylcyclohexyl]methyl]propan-2-amine
CID 82007335
N-[[1-(2,2-difluoroethoxy)-4-ethylcyclohexyl]methyl]propan-2-amine
CID 82007464
N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107292
N-[(1-propan-2-yloxycyclohexyl)methyl]propan-2-amine
CID 62107127
N-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine
CID 62106094
N-[[1-(2-propoxyethoxy)cyclohexyl]methyl]propan-2-amine
CID 63686546
N-methyl-1-[1-(2-methylpropoxy)cycloheptyl]methanamine
CID 62106698
N-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine
CID 62106260
N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine
CID 63473769
N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 82007334
N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine
CID 62106678
N-methyl-1-[1-(2-methylpentoxy)cyclohexyl]methanamine
CID 103285151

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine (CID 82006256) is N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine is CC(C)NCC1(OCC(F)F)CCCCC1.
What is the InChIKey of N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine?
The InChIKey is XDBGADPQZORLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-10(2)15-9-12(16-8-11(13)14)6-4-3-5-7-12/h10-11,15H,3-9H2,1-2H3.
What are the key properties of N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine?
N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine has a molecular weight of 235.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 82006256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).