N-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine

C16H20FN3 — CID 63975818

IUPACN-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine
SMILESCCCn1ccnc1-c1ccc(F)c(CNC2CC2)c1
InChIInChI=1S/C16H20FN3/c1-2-8-20-9-7-18-16(20)12-3-6-15(17)13(10-12)11-19-14-4-5-14/h3,6-7,9-10,14,19H,2,4-5,8,11H2,1H3
InChIKeyZOIIBPGZVHYZAV-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.35
Rot. Bonds6

About N-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine

N-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine (PubChem CID 63975818) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine
PubChem CID63975818
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC NameN-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine
SMILESCCCn1ccnc1-c1ccc(F)c(CNC2CC2)c1
InChIInChI=1S/C16H20FN3/c1-2-8-20-9-7-18-16(20)12-3-6-15(17)13(10-12)11-19-14-4-5-14/h3,6-7,9-10,14,19H,2,4-5,8,11H2,1H3
InChIKeyZOIIBPGZVHYZAV-UHFFFAOYSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63974152
2-fluoro-5-(1-propylimidazol-2-yl)benzaldehyde
CID 63974565
N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine
CID 63962452
N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine
CID 79739257
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63424844
N-[[3-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63975192
N-[[2-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 61033411
N-[[5-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]cyclopropanamine
CID 66099317
N-[[2-fluoro-5-(4-propylphenyl)phenyl]methyl]cyclopropanamine
CID 63424721
1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine
CID 66159923
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350055
N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine
CID 63975815

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine (CID 63975818) is N-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine is CCCn1ccnc1-c1ccc(F)c(CNC2CC2)c1.
What is the InChIKey of N-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is ZOIIBPGZVHYZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-2-8-20-9-7-18-16(20)12-3-6-15(17)13(10-12)11-19-14-4-5-14/h3,6-7,9-10,14,19H,2,4-5,8,11H2,1H3.
What are the key properties of N-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine?
N-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 273.36 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63975818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).