N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine

C13H21F2NO2 — CID 82005396

IUPACN-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1oc(COCC(F)F)cc1CNC(C)(C)C
InChIInChI=1S/C13H21F2NO2/c1-9-10(6-16-13(2,3)4)5-11(18-9)7-17-8-12(14)15/h5,12,16H,6-8H2,1-4H3
InChIKeyCCUXUDIFAUKFLS-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.26
Rot. Bonds6

About N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine

N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 82005396) has the molecular formula C13H21F2NO2 and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID82005396
Molecular FormulaC13H21F2NO2
Molecular Weight261.31 g/mol
Exact Mass261.15
IUPAC NameN-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1oc(COCC(F)F)cc1CNC(C)(C)C
InChIInChI=1S/C13H21F2NO2/c1-9-10(6-16-13(2,3)4)5-11(18-9)7-17-8-12(14)15/h5,12,16H,6-8H2,1-4H3
InChIKeyCCUXUDIFAUKFLS-UHFFFAOYSA-N
XLogP3.26
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 82006511
N-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62446188
N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 82005395
N-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62455984
2-methyl-N-[[2-methyl-5-(oxetan-3-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 102608122
2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62453419
N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62445373
2-methyl-N-[[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62445177
2-methyl-N-[[5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methyl]propan-2-amine
CID 115942837
N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 55077622
2-methyl-N-[[2-methyl-5-[[propan-2-yl(propyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62420500
N-[[2-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 82957504

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine (CID 82005396) is N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine is Cc1oc(COCC(F)F)cc1CNC(C)(C)C.
What is the InChIKey of N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is CCUXUDIFAUKFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO2/c1-9-10(6-16-13(2,3)4)5-11(18-9)7-17-8-12(14)15/h5,12,16H,6-8H2,1-4H3.
What are the key properties of N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 261.31 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82005396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).