N-[[1-(2,2-difluoroethoxy)-4-ethylcyclohexyl]methyl]propan-2-amine

C14H27F2NO — CID 82007464

IUPACN-[[1-(2,2-difluoroethoxy)-4-ethylcyclohexyl]methyl]propan-2-amine
SMILESCCC1CCC(CNC(C)C)(OCC(F)F)CC1
InChIInChI=1S/C14H27F2NO/c1-4-12-5-7-14(8-6-12,10-17-11(2)3)18-9-13(15)16/h11-13,17H,4-10H2,1-3H3
InChIKeyGGQGBCGYGYYBNE-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.61
Rot. Bonds7

About N-[[1-(2,2-difluoroethoxy)-4-ethylcyclohexyl]methyl]propan-2-amine

N-[[1-(2,2-difluoroethoxy)-4-ethylcyclohexyl]methyl]propan-2-amine (PubChem CID 82007464) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethoxy)-4-ethylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethoxy)-4-ethylcyclohexyl]methyl]propan-2-amine
PubChem CID82007464
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC NameN-[[1-(2,2-difluoroethoxy)-4-ethylcyclohexyl]methyl]propan-2-amine
SMILESCCC1CCC(CNC(C)C)(OCC(F)F)CC1
InChIInChI=1S/C14H27F2NO/c1-4-12-5-7-14(8-6-12,10-17-11(2)3)18-9-13(15)16/h11-13,17H,4-10H2,1-3H3
InChIKeyGGQGBCGYGYYBNE-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.61
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)cyclohexyl]methyl]propan-2-amine
CID 82006256
N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 82007334
N-[[4-ethyl-1-(4-methylpentoxy)cyclohexyl]methyl]propan-1-amine
CID 63475716
N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine
CID 63686920
N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 82007210
N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine
CID 63475880
N-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine
CID 106449156
N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine
CID 63473518
N-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82005818
N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107292
N-[[4-methyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-2-amine
CID 106449180

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethoxy)-4-ethylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,2-difluoroethoxy)-4-ethylcyclohexyl]methyl]propan-2-amine (CID 82007464) is N-[[1-(2,2-difluoroethoxy)-4-ethylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,2-difluoroethoxy)-4-ethylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,2-difluoroethoxy)-4-ethylcyclohexyl]methyl]propan-2-amine is CCC1CCC(CNC(C)C)(OCC(F)F)CC1.
What is the InChIKey of N-[[1-(2,2-difluoroethoxy)-4-ethylcyclohexyl]methyl]propan-2-amine?
The InChIKey is GGQGBCGYGYYBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-4-12-5-7-14(8-6-12,10-17-11(2)3)18-9-13(15)16/h11-13,17H,4-10H2,1-3H3.
What are the key properties of N-[[1-(2,2-difluoroethoxy)-4-ethylcyclohexyl]methyl]propan-2-amine?
N-[[1-(2,2-difluoroethoxy)-4-ethylcyclohexyl]methyl]propan-2-amine has a molecular weight of 263.37 g/mol, XLogP of 3.61, 7 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)-4-ethylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 82007464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).