N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine

C12H21F2N3O — CID 103150869

IUPACN-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(CCOCC(F)F)[nH]1
InChIInChI=1S/C12H21F2N3O/c1-12(2,3)16-7-9-6-15-11(17-9)4-5-18-8-10(13)14/h6,10,16H,4-5,7-8H2,1-3H3,(H,15,17)
InChIKeyAFBGQTLKMFQRML-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.12
Rot. Bonds7

About N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 103150869) has the molecular formula C12H21F2N3O and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID103150869
Molecular FormulaC12H21F2N3O
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(CCOCC(F)F)[nH]1
InChIInChI=1S/C12H21F2N3O/c1-12(2,3)16-7-9-6-15-11(17-9)4-5-18-8-10(13)14/h6,10,16H,4-5,7-8H2,1-3H3,(H,15,17)
InChIKeyAFBGQTLKMFQRML-UHFFFAOYSA-N
XLogP2.12
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109067
N-[[2-[2-(diethylamino)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63109005
2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109029
2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazole-5-carboxylic acid
CID 103150548
2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 62743796
2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-1H-pyrimidine-4-thione
CID 106476108
6-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106475853
N-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 55176708
N-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 82005716
2-methyl-N-[[2-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109062
N-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 103212000
N-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 82007119

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine (CID 103150869) is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(CCOCC(F)F)[nH]1.
What is the InChIKey of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is AFBGQTLKMFQRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N3O/c1-12(2,3)16-7-9-6-15-11(17-9)4-5-18-8-10(13)14/h6,10,16H,4-5,7-8H2,1-3H3,(H,15,17).
What are the key properties of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 261.32 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103150869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).