2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine

C12H22FN3 — CID 112566789

IUPAC2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine
SMILESCCCn1ccnc1CC(F)(CN)C(C)C
InChIInChI=1S/C12H22FN3/c1-4-6-16-7-5-15-11(16)8-12(13,9-14)10(2)3/h5,7,10H,4,6,8-9,14H2,1-3H3
InChIKeyZEJQVLIANUCSRG-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.16
Rot. Bonds6

About 2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine

2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine (PubChem CID 112566789) has the molecular formula C12H22FN3 and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine
PubChem CID112566789
Molecular FormulaC12H22FN3
Molecular Weight227.33 g/mol
Exact Mass227.18
IUPAC Name2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine
SMILESCCCn1ccnc1CC(F)(CN)C(C)C
InChIInChI=1S/C12H22FN3/c1-4-6-16-7-5-15-11(16)8-12(13,9-14)10(2)3/h5,7,10H,4,6,8-9,14H2,1-3H3
InChIKeyZEJQVLIANUCSRG-UHFFFAOYSA-N
XLogP2.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol
CID 79738150
2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole
CID 79762064
1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215835
6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol
CID 116535799
2-[(1-propan-2-ylimidazol-2-yl)methyl]-2-[(1-propylimidazol-2-yl)methyl]propane-1,3-diol
CID 101390379
2-(3-bromobutyl)-1-propylimidazole
CID 64508695
2-methyl-3-(1-propylimidazol-2-yl)propanal
CID 64663884
1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79744860
N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine
CID 81016215
5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 79751948
5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116594917
3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol
CID 116712374

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine?
The IUPAC name of 2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine (CID 112566789) is 2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine?
The canonical SMILES for 2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine is CCCn1ccnc1CC(F)(CN)C(C)C.
What is the InChIKey of 2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine?
The InChIKey is ZEJQVLIANUCSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN3/c1-4-6-16-7-5-15-11(16)8-12(13,9-14)10(2)3/h5,7,10H,4,6,8-9,14H2,1-3H3.
What are the key properties of 2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine?
2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine has a molecular weight of 227.33 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 112566789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).