1-(2,5-dimethyl-1H-imidazol-4-yl)-3-fluoropropan-2-amine

C8H14FN3 — CID 23343226

IUPAC1-(2,5-dimethyl-1H-imidazol-4-yl)-3-fluoropropan-2-amine
SMILESCc1nc(CC(N)CF)c(C)[nH]1
InChIInChI=1S/C8H14FN3/c1-5-8(3-7(10)4-9)12-6(2)11-5/h7H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyFFCZNCLZZAMOSV-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.87
Rot. Bonds3

About 1-(2,5-dimethyl-1H-imidazol-4-yl)-3-fluoropropan-2-amine

1-(2,5-dimethyl-1H-imidazol-4-yl)-3-fluoropropan-2-amine (PubChem CID 23343226) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1H-imidazol-4-yl)-3-fluoropropan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1H-imidazol-4-yl)-3-fluoropropan-2-amine
PubChem CID23343226
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name1-(2,5-dimethyl-1H-imidazol-4-yl)-3-fluoropropan-2-amine
SMILESCc1nc(CC(N)CF)c(C)[nH]1
InChIInChI=1S/C8H14FN3/c1-5-8(3-7(10)4-9)12-6(2)11-5/h7H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyFFCZNCLZZAMOSV-UHFFFAOYSA-N
XLogP0.87
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CID 13248792
N'-[2-(5-methyl-1H-imidazol-4-yl)ethyl]ethane-1,2-diamine
CID 14712111
1H-Imidazole-4-ethanamine, alpha,5-dimethyl-
CID 158290
4,4'-Methylene-bis(2-ethyl-5-methylimidazole)
CID 13685304
2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CID 71695304
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
(5R)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
CID 96635921
2-Amino-5-methylhistamine
CID 145977
1H-Benzimidazole, 2-butyl-4,5,6,7-tetrahydro-
CID 10511534
5-Ethylhistamine
CID 12615455
4-Methyl-5-butylimidazole
CID 14787206

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1H-imidazol-4-yl)-3-fluoropropan-2-amine?
The IUPAC name of 1-(2,5-dimethyl-1H-imidazol-4-yl)-3-fluoropropan-2-amine (CID 23343226) is 1-(2,5-dimethyl-1H-imidazol-4-yl)-3-fluoropropan-2-amine.
What is the SMILES notation for 1-(2,5-dimethyl-1H-imidazol-4-yl)-3-fluoropropan-2-amine?
The canonical SMILES for 1-(2,5-dimethyl-1H-imidazol-4-yl)-3-fluoropropan-2-amine is Cc1nc(CC(N)CF)c(C)[nH]1.
What is the InChIKey of 1-(2,5-dimethyl-1H-imidazol-4-yl)-3-fluoropropan-2-amine?
The InChIKey is FFCZNCLZZAMOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3/c1-5-8(3-7(10)4-9)12-6(2)11-5/h7H,3-4,10H2,1-2H3,(H,11,12).
What are the key properties of 1-(2,5-dimethyl-1H-imidazol-4-yl)-3-fluoropropan-2-amine?
1-(2,5-dimethyl-1H-imidazol-4-yl)-3-fluoropropan-2-amine has a molecular weight of 171.22 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1H-imidazol-4-yl)-3-fluoropropan-2-amine is sourced from PubChem (CID 23343226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).