[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]methanamine

C8H14FN3 — CID 84766027

IUPAC[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]methanamine
SMILESCn1c(CN)cnc1C(C)(C)F
InChIInChI=1S/C8H14FN3/c1-8(2,9)7-11-5-6(4-10)12(7)3/h5H,4,10H2,1-3H3
InChIKeyLIUPNEUSSGEMBP-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.08
Rot. Bonds2

About [2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]methanamine

[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]methanamine (PubChem CID 84766027) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is [2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]methanamine
PubChem CID84766027
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]methanamine
SMILESCn1c(CN)cnc1C(C)(C)F
InChIInChI=1S/C8H14FN3/c1-8(2,9)7-11-5-6(4-10)12(7)3/h5H,4,10H2,1-3H3
InChIKeyLIUPNEUSSGEMBP-UHFFFAOYSA-N
XLogP1.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]acetic acid
CID 84775744
[6-(2-fluoropropan-2-yl)-3-pyridinyl]methanamine
CID 142385904
[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]methanamine
CID 84764000
[2-(3-fluoro-3-methylbutyl)pyrazol-3-yl]methanamine
CID 84660191
(2-amino-3-methylimidazol-4-yl)methanol
CID 53411272
[1-(2,2-difluoropropyl)imidazol-4-yl]methanamine
CID 164654588
(3-tert-butyl-1-methylpyrazol-5-yl)methanamine
CID 66644048
[3-(2-methoxyethyl)-2-methylimidazol-4-yl]methanamine
CID 65172656
(2-bromo-3-propan-2-ylimidazol-4-yl)methanamine
CID 117192918
[4-(2-fluoropropan-2-yl)-2-pyridinyl]methanamine
CID 84765426
3-(2,3-dimethylimidazol-4-yl)propan-1-amine
CID 82416793
(3-dodecyl-2-methylimidazol-4-yl)methanamine
CID 65173229

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]methanamine?
The IUPAC name of [2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]methanamine (CID 84766027) is [2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]methanamine?
The canonical SMILES for [2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]methanamine is Cn1c(CN)cnc1C(C)(C)F.
What is the InChIKey of [2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]methanamine?
The InChIKey is LIUPNEUSSGEMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3/c1-8(2,9)7-11-5-6(4-10)12(7)3/h5H,4,10H2,1-3H3.
What are the key properties of [2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]methanamine?
[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]methanamine has a molecular weight of 171.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]methanamine is sourced from PubChem (CID 84766027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).