N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine

C14H27F2NO — CID 82007334

IUPACN-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCC(F)F)CCC(C(C)C)CC1
InChIInChI=1S/C14H27F2NO/c1-4-17-10-14(18-9-13(15)16)7-5-12(6-8-14)11(2)3/h11-13,17H,4-10H2,1-3H3
InChIKeyVGDWBFQSGDDKBR-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.46
Rot. Bonds7

About N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine

N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine (PubChem CID 82007334) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
PubChem CID82007334
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC NameN-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCC(F)F)CCC(C(C)C)CC1
InChIInChI=1S/C14H27F2NO/c1-4-17-10-14(18-9-13(15)16)7-5-12(6-8-14)11(2)3/h11-13,17H,4-10H2,1-3H3
InChIKeyVGDWBFQSGDDKBR-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethoxy-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 62108168
N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 82007210
N-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 102984714
N-[[1-(2-cyclopropylethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 106204886
N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 63475515
N-[[1-(2,2-difluoroethoxy)-4-ethylcyclohexyl]methyl]propan-2-amine
CID 82007464
N-[[1-(2,2-difluoroethoxy)-4-methylcyclohexyl]methyl]propan-2-amine
CID 82007335
N-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 62107337
2-methyl-N-[[1-(2-methylpropoxy)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 63474982
N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine
CID 103285214
N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 82006256
N-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82005818

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine (CID 82007334) is N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine is CCNCC1(OCC(F)F)CCC(C(C)C)CC1.
What is the InChIKey of N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The InChIKey is VGDWBFQSGDDKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-4-17-10-14(18-9-13(15)16)7-5-12(6-8-14)11(2)3/h11-13,17H,4-10H2,1-3H3.
What are the key properties of N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine has a molecular weight of 263.37 g/mol, XLogP of 3.46, 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-propan-2-ylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 82007334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).