1-[4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-yl]propan-2-amine

C9H15F2N3 — CID 84777157

IUPAC1-[4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-yl]propan-2-amine
SMILESCc1[nH]c(CC(C)N)nc1C(C)(F)F
InChIInChI=1S/C9H15F2N3/c1-5(12)4-7-13-6(2)8(14-7)9(3,10)11/h5H,4,12H2,1-3H3,(H,13,14)
InChIKeyQXGNYSUOANTPLC-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.72
Rot. Bonds3

About 1-[4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-yl]propan-2-amine

1-[4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-yl]propan-2-amine (PubChem CID 84777157) has the molecular formula C9H15F2N3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-yl]propan-2-amine
PubChem CID84777157
Molecular FormulaC9H15F2N3
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name1-[4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-yl]propan-2-amine
SMILESCc1[nH]c(CC(C)N)nc1C(C)(F)F
InChIInChI=1S/C9H15F2N3/c1-5(12)4-7-13-6(2)8(14-7)9(3,10)11/h5H,4,12H2,1-3H3,(H,13,14)
InChIKeyQXGNYSUOANTPLC-UHFFFAOYSA-N
XLogP1.72
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 84775402
1-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]propan-2-amine
CID 84769786
[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]methanol
CID 105438499
1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-2-amine
CID 61337752
1-(1,4-dihydroimidazo[4,5-d]pyrazol-5-yl)propan-2-amine
CID 136922884
5-(2-aminopropyl)-N-methyl-1H-1,2,4-triazol-3-amine
CID 83872825
5-(2-aminopropyl)-1H-1,2,4-triazol-3-amine
CID 61319976
1-(5-bromo-1H-imidazol-2-yl)propan-2-amine
CID 83881752
1-(5-ethyl-4-phenyl-1H-imidazol-2-yl)propan-2-amine
CID 60842488
(4-tert-butyl-5-propan-2-yl-1H-imidazol-2-yl)methanamine
CID 105449546
1-(3-methoxy-1H-1,2,4-triazol-5-yl)propan-2-amine
CID 83872862
2-amino-3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol;hydrochloride
CID 170892262

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-yl]propan-2-amine?
The IUPAC name of 1-[4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-yl]propan-2-amine (CID 84777157) is 1-[4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-yl]propan-2-amine is Cc1[nH]c(CC(C)N)nc1C(C)(F)F.
What is the InChIKey of 1-[4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-yl]propan-2-amine?
The InChIKey is QXGNYSUOANTPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3/c1-5(12)4-7-13-6(2)8(14-7)9(3,10)11/h5H,4,12H2,1-3H3,(H,13,14).
What are the key properties of 1-[4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-yl]propan-2-amine?
1-[4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-yl]propan-2-amine has a molecular weight of 203.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-yl]propan-2-amine is sourced from PubChem (CID 84777157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).