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

C15H29F2NO — CID 82005850

IUPACN-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(OCC(F)F)CCC(C(C)C)CC1
InChIInChI=1S/C15H29F2NO/c1-11(2)13-5-7-15(8-6-13,10-18-12(3)4)19-9-14(16)17/h11-14,18H,5-10H2,1-4H3
InChIKeyWFBRRNDZMDWDPX-UHFFFAOYSA-N
MW277.40 g/mol
LogP3.85
Rot. Bonds7

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

N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine (PubChem CID 82005850) has the molecular formula C15H29F2NO and a molecular weight of 277.40 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
PubChem CID82005850
Molecular FormulaC15H29F2NO
Molecular Weight277.40 g/mol
Exact Mass277.22
IUPAC NameN-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(OCC(F)F)CCC(C(C)C)CC1
InChIInChI=1S/C15H29F2NO/c1-11(2)13-5-7-15(8-6-13,10-18-12(3)4)19-9-14(16)17/h11-14,18H,5-10H2,1-4H3
InChIKeyWFBRRNDZMDWDPX-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine (CID 82005850) is N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine is CC(C)NCC1(OCC(F)F)CCC(C(C)C)CC1.
What is the InChIKey of N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
The InChIKey is WFBRRNDZMDWDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F2NO/c1-11(2)13-5-7-15(8-6-13,10-18-12(3)4)19-9-14(16)17/h11-14,18H,5-10H2,1-4H3.
What are the key properties of N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine has a molecular weight of 277.40 g/mol, XLogP of 3.85, 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]propan-2-amine is sourced from PubChem (CID 82005850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).