3-(2,2-difluoroethoxy)-1-(3,5-dimethylcyclohexyl)propan-1-amine

C13H25F2NO — CID 103149109

IUPAC3-(2,2-difluoroethoxy)-1-(3,5-dimethylcyclohexyl)propan-1-amine
SMILESCC1CC(C)CC(C(N)CCOCC(F)F)C1
InChIInChI=1S/C13H25F2NO/c1-9-5-10(2)7-11(6-9)12(16)3-4-17-8-13(14)15/h9-13H,3-8,16H2,1-2H3
InChIKeyUQISARDIGBEIMW-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.06
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-(3,5-dimethylcyclohexyl)propan-1-amine

3-(2,2-difluoroethoxy)-1-(3,5-dimethylcyclohexyl)propan-1-amine (PubChem CID 103149109) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(3,5-dimethylcyclohexyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(3,5-dimethylcyclohexyl)propan-1-amine
PubChem CID103149109
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name3-(2,2-difluoroethoxy)-1-(3,5-dimethylcyclohexyl)propan-1-amine
SMILESCC1CC(C)CC(C(N)CCOCC(F)F)C1
InChIInChI=1S/C13H25F2NO/c1-9-5-10(2)7-11(6-9)12(16)3-4-17-8-13(14)15/h9-13H,3-8,16H2,1-2H3
InChIKeyUQISARDIGBEIMW-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
4-(3,3-Difluoropropoxymethyl)cyclohexan-1-amine
CID 118523703
4-(3,3,3-Trifluoropropoxymethyl)cyclohexan-1-amine
CID 126566213
(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
CID 134353026
3-(2-Ethylcyclohexyl)oxy-4,4,4-trifluorobutan-1-amine
CID 43753306
N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55093564
1-(3-Methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094197
N-methyl-1-(3-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094199
1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095682
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61490290
2-Methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 61491063
2-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohexan-1-amine
CID 61491363

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(3,5-dimethylcyclohexyl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(3,5-dimethylcyclohexyl)propan-1-amine (CID 103149109) is 3-(2,2-difluoroethoxy)-1-(3,5-dimethylcyclohexyl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(3,5-dimethylcyclohexyl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(3,5-dimethylcyclohexyl)propan-1-amine is CC1CC(C)CC(C(N)CCOCC(F)F)C1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(3,5-dimethylcyclohexyl)propan-1-amine?
The InChIKey is UQISARDIGBEIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-9-5-10(2)7-11(6-9)12(16)3-4-17-8-13(14)15/h9-13H,3-8,16H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(3,5-dimethylcyclohexyl)propan-1-amine?
3-(2,2-difluoroethoxy)-1-(3,5-dimethylcyclohexyl)propan-1-amine has a molecular weight of 249.34 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(3,5-dimethylcyclohexyl)propan-1-amine is sourced from PubChem (CID 103149109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).