2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine

C8H14FN3 — CID 114533122

IUPAC2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine
SMILESCn1ccnc1CCC(F)CN
InChIInChI=1S/C8H14FN3/c1-12-5-4-11-8(12)3-2-7(9)6-10/h4-5,7H,2-3,6,10H2,1H3
InChIKeyGCOMKGFKDLBDQR-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.65
Rot. Bonds4

About 2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine

2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine (PubChem CID 114533122) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine
PubChem CID114533122
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine
SMILESCn1ccnc1CCC(F)CN
InChIInChI=1S/C8H14FN3/c1-12-5-4-11-8(12)3-2-7(9)6-10/h4-5,7H,2-3,6,10H2,1H3
InChIKeyGCOMKGFKDLBDQR-UHFFFAOYSA-N
XLogP0.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine
CID 103517203
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
[5-methyl-1-(1-methylimidazol-2-yl)hexan-3-yl]hydrazine
CID 105199029
1-chloro-1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-ol
CID 114529850
2-butyl-1-methylimidazole;fluoroform
CID 162050255
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041
7-(1-methylimidazol-2-yl)heptan-3-ol
CID 114532166
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 106695562
2-methoxycarbonyl-4-(1-methylimidazol-2-yl)butanoic acid
CID 114533149
methanamine;1-methyl-2-propylimidazole
CID 164902083

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine?
The IUPAC name of 2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine (CID 114533122) is 2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine?
The canonical SMILES for 2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine is Cn1ccnc1CCC(F)CN.
What is the InChIKey of 2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine?
The InChIKey is GCOMKGFKDLBDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3/c1-12-5-4-11-8(12)3-2-7(9)6-10/h4-5,7H,2-3,6,10H2,1H3.
What are the key properties of 2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine?
2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine has a molecular weight of 171.22 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 114533122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).