1-(4-ethyl-2-propan-2-yl-1H-imidazol-5-yl)-3-fluoropropan-2-amine

C11H20FN3 — CID 23343246

IUPAC1-(4-ethyl-2-propan-2-yl-1H-imidazol-5-yl)-3-fluoropropan-2-amine
SMILESCCc1nc(C(C)C)[nH]c1CC(N)CF
InChIInChI=1S/C11H20FN3/c1-4-9-10(5-8(13)6-12)15-11(14-9)7(2)3/h7-8H,4-6,13H2,1-3H3,(H,14,15)
InChIKeyFNFMJEYEDUCYFD-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.93
Rot. Bonds5

About 1-(4-ethyl-2-propan-2-yl-1H-imidazol-5-yl)-3-fluoropropan-2-amine

1-(4-ethyl-2-propan-2-yl-1H-imidazol-5-yl)-3-fluoropropan-2-amine (PubChem CID 23343246) has the molecular formula C11H20FN3 and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-(4-ethyl-2-propan-2-yl-1H-imidazol-5-yl)-3-fluoropropan-2-amine.

Molecular Properties

Compound Name1-(4-ethyl-2-propan-2-yl-1H-imidazol-5-yl)-3-fluoropropan-2-amine
PubChem CID23343246
Molecular FormulaC11H20FN3
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC Name1-(4-ethyl-2-propan-2-yl-1H-imidazol-5-yl)-3-fluoropropan-2-amine
SMILESCCc1nc(C(C)C)[nH]c1CC(N)CF
InChIInChI=1S/C11H20FN3/c1-4-9-10(5-8(13)6-12)15-11(14-9)7(2)3/h7-8H,4-6,13H2,1-3H3,(H,14,15)
InChIKeyFNFMJEYEDUCYFD-UHFFFAOYSA-N
XLogP1.93
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Imidazole-4-ethanamine, alpha,5-dimethyl-
CID 158290
4,4'-Methylene-bis(2-ethyl-5-methylimidazole)
CID 13685304
2-(4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride
CID 13170819
2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-5-amine dihydrochloride
CID 86775639
2-(4,4-difluorocyclohexyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-5-amine dihydrochloride
CID 121553325
(5R)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
CID 96635921
2,4,5-Triethylimidazole
CID 19377935
2-methyl-4,5-dipropyl-1H-imidazole
CID 20156512
2,4,5-tripropyl-1H-imidazole
CID 24974633
4-ethyl-2-methyl-5-propyl-1H-imidazole
CID 67591389
2,4,5-tributyl-1H-imidazole
CID 90214593
1-(2,5-dimethyl-1H-imidazol-4-yl)-3-fluoropropan-2-amine
CID 23343226

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2-propan-2-yl-1H-imidazol-5-yl)-3-fluoropropan-2-amine?
The IUPAC name of 1-(4-ethyl-2-propan-2-yl-1H-imidazol-5-yl)-3-fluoropropan-2-amine (CID 23343246) is 1-(4-ethyl-2-propan-2-yl-1H-imidazol-5-yl)-3-fluoropropan-2-amine.
What is the SMILES notation for 1-(4-ethyl-2-propan-2-yl-1H-imidazol-5-yl)-3-fluoropropan-2-amine?
The canonical SMILES for 1-(4-ethyl-2-propan-2-yl-1H-imidazol-5-yl)-3-fluoropropan-2-amine is CCc1nc(C(C)C)[nH]c1CC(N)CF.
What is the InChIKey of 1-(4-ethyl-2-propan-2-yl-1H-imidazol-5-yl)-3-fluoropropan-2-amine?
The InChIKey is FNFMJEYEDUCYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3/c1-4-9-10(5-8(13)6-12)15-11(14-9)7(2)3/h7-8H,4-6,13H2,1-3H3,(H,14,15).
What are the key properties of 1-(4-ethyl-2-propan-2-yl-1H-imidazol-5-yl)-3-fluoropropan-2-amine?
1-(4-ethyl-2-propan-2-yl-1H-imidazol-5-yl)-3-fluoropropan-2-amine has a molecular weight of 213.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2-propan-2-yl-1H-imidazol-5-yl)-3-fluoropropan-2-amine is sourced from PubChem (CID 23343246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).