[2-fluoro-4-[(1-propylimidazol-2-yl)methyl]phenyl]methanamine

C14H18FN3 — CID 79737643

IUPAC[2-fluoro-4-[(1-propylimidazol-2-yl)methyl]phenyl]methanamine
SMILESCCCn1ccnc1Cc1ccc(CN)c(F)c1
InChIInChI=1S/C14H18FN3/c1-2-6-18-7-5-17-14(18)9-11-3-4-12(10-16)13(15)8-11/h3-5,7-8H,2,6,9-10,16H2,1H3
InChIKeyOXQZEPVBHOZFPB-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.48
Rot. Bonds5

About [2-fluoro-4-[(1-propylimidazol-2-yl)methyl]phenyl]methanamine

[2-fluoro-4-[(1-propylimidazol-2-yl)methyl]phenyl]methanamine (PubChem CID 79737643) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is [2-fluoro-4-[(1-propylimidazol-2-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-4-[(1-propylimidazol-2-yl)methyl]phenyl]methanamine
PubChem CID79737643
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name[2-fluoro-4-[(1-propylimidazol-2-yl)methyl]phenyl]methanamine
SMILESCCCn1ccnc1Cc1ccc(CN)c(F)c1
InChIInChI=1S/C14H18FN3/c1-2-6-18-7-5-17-14(18)9-11-3-4-12(10-16)13(15)8-11/h3-5,7-8H,2,6,9-10,16H2,1H3
InChIKeyOXQZEPVBHOZFPB-UHFFFAOYSA-N
XLogP2.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[(1-propylimidazol-2-yl)methyl]aniline
CID 79737831
[4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine
CID 61402521
[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558352
[2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine
CID 114076779
N-[[2-fluoro-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
CID 79737938
3-methyl-5-[(1-propylimidazol-2-yl)methyl]pyridin-2-amine
CID 83170955
1-(2,4-difluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79751631
4-[(1-butylimidazol-2-yl)methyl]aniline
CID 70226116
N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine
CID 79739257
N-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79739256
N-methyl-1-[3-[(1-propylimidazol-2-yl)methyl]phenyl]propan-1-amine
CID 79738919
2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine
CID 82557914

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[(1-propylimidazol-2-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-4-[(1-propylimidazol-2-yl)methyl]phenyl]methanamine (CID 79737643) is [2-fluoro-4-[(1-propylimidazol-2-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-4-[(1-propylimidazol-2-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-4-[(1-propylimidazol-2-yl)methyl]phenyl]methanamine is CCCn1ccnc1Cc1ccc(CN)c(F)c1.
What is the InChIKey of [2-fluoro-4-[(1-propylimidazol-2-yl)methyl]phenyl]methanamine?
The InChIKey is OXQZEPVBHOZFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-2-6-18-7-5-17-14(18)9-11-3-4-12(10-16)13(15)8-11/h3-5,7-8H,2,6,9-10,16H2,1H3.
What are the key properties of [2-fluoro-4-[(1-propylimidazol-2-yl)methyl]phenyl]methanamine?
[2-fluoro-4-[(1-propylimidazol-2-yl)methyl]phenyl]methanamine has a molecular weight of 247.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[(1-propylimidazol-2-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 79737643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).