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

C16H31F2NO — CID 82007210

IUPACN-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)C1CCC(CNC(C)(C)C)(OCC(F)F)CC1
InChIInChI=1S/C16H31F2NO/c1-12(2)13-6-8-16(9-7-13,20-10-14(17)18)11-19-15(3,4)5/h12-14,19H,6-11H2,1-5H3
InChIKeySWACNSPIJYUUFH-UHFFFAOYSA-N
MW291.43 g/mol
LogP4.24
Rot. Bonds6

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

N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 82007210) has the molecular formula C16H31F2NO and a molecular weight of 291.43 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID82007210
Molecular FormulaC16H31F2NO
Molecular Weight291.43 g/mol
Exact Mass291.24
IUPAC NameN-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)C1CCC(CNC(C)(C)C)(OCC(F)F)CC1
InChIInChI=1S/C16H31F2NO/c1-12(2)13-6-8-16(9-7-13,20-10-14(17)18)11-19-15(3,4)5/h12-14,19H,6-11H2,1-5H3
InChIKeySWACNSPIJYUUFH-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 54.24
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]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine (CID 82007210) is N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine is CC(C)C1CCC(CNC(C)(C)C)(OCC(F)F)CC1.
What is the InChIKey of N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SWACNSPIJYUUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F2NO/c1-12(2)13-6-8-16(9-7-13,20-10-14(17)18)11-19-15(3,4)5/h12-14,19H,6-11H2,1-5H3.
What are the key properties of N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.43 g/mol, XLogP of 4.24, 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)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82007210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).