3-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]propan-1-amine

C10H18FN3 — CID 84775402

IUPAC3-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
SMILESCc1[nH]c(CCCN)nc1C(C)(C)F
InChIInChI=1S/C10H18FN3/c1-7-9(10(2,3)11)14-8(13-7)5-4-6-12/h4-6,12H2,1-3H3,(H,13,14)
InChIKeyXFMZSCHAHIZORP-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.81
Rot. Bonds4

About 3-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]propan-1-amine

3-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]propan-1-amine (PubChem CID 84775402) has the molecular formula C10H18FN3 and a molecular weight of 199.27 g/mol. Its IUPAC name is 3-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
PubChem CID84775402
Molecular FormulaC10H18FN3
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC Name3-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
SMILESCc1[nH]c(CCCN)nc1C(C)(C)F
InChIInChI=1S/C10H18FN3/c1-7-9(10(2,3)11)14-8(13-7)5-4-6-12/h4-6,12H2,1-3H3,(H,13,14)
InChIKeyXFMZSCHAHIZORP-UHFFFAOYSA-N
XLogP1.81
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-yl]propan-2-amine
CID 84777157
[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]methanol
CID 105438499
3-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 43650829
5-[4-(methoxymethyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
CID 114999252
5-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
CID 112679311
3-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 114079195
5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
CID 43651177
2-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)ethanamine
CID 82236116
methyl 2-[4-(2-aminopropan-2-yl)-5-methyl-1H-imidazol-2-yl]acetate
CID 115027388
2-(3-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550600
3-[3-(2-ethoxybutan-2-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 116779612
3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine
CID 82184501

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 3-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]propan-1-amine (CID 84775402) is 3-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]propan-1-amine is Cc1[nH]c(CCCN)nc1C(C)(C)F.
What is the InChIKey of 3-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is XFMZSCHAHIZORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3/c1-7-9(10(2,3)11)14-8(13-7)5-4-6-12/h4-6,12H2,1-3H3,(H,13,14).
What are the key properties of 3-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]propan-1-amine?
3-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 199.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 84775402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).