[4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine

C13H16FN3 — CID 61402521

IUPAC[4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine
SMILESCCc1nccn1Cc1ccc(CN)cc1F
InChIInChI=1S/C13H16FN3/c1-2-13-16-5-6-17(13)9-11-4-3-10(8-15)7-12(11)14/h3-7H,2,8-9,15H2,1H3
InChIKeyASBLUJKXNJGZKI-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.09
Rot. Bonds4

About [4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine

[4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine (PubChem CID 61402521) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is [4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine
PubChem CID61402521
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name[4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine
SMILESCCc1nccn1Cc1ccc(CN)cc1F
InChIInChI=1S/C13H16FN3/c1-2-13-16-5-6-17(13)9-11-4-3-10(8-15)7-12(11)14/h3-7H,2,8-9,15H2,1H3
InChIKeyASBLUJKXNJGZKI-UHFFFAOYSA-N
XLogP2.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-ethylimidazol-1-yl)methyl]-3-fluorobenzoic acid
CID 63072890
[2-fluoro-4-[(1-propylimidazol-2-yl)methyl]phenyl]methanamine
CID 79737643
[4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine
CID 63889050
[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558352
[5-[(2-ethylimidazol-1-yl)methyl]-2-fluorophenyl]boronic acid
CID 54970735
2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine
CID 107886659
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpyridin-2-one
CID 62962293
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62221262
[4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol
CID 110005702
3-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine
CID 62465807
(2-ethylimidazol-1-yl)methanamine
CID 122501271
1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole
CID 115769752

Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine?
The IUPAC name of [4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine (CID 61402521) is [4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine?
The canonical SMILES for [4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine is CCc1nccn1Cc1ccc(CN)cc1F.
What is the InChIKey of [4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine?
The InChIKey is ASBLUJKXNJGZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-2-13-16-5-6-17(13)9-11-4-3-10(8-15)7-12(11)14/h3-7H,2,8-9,15H2,1H3.
What are the key properties of [4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine?
[4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine has a molecular weight of 233.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine is sourced from PubChem (CID 61402521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).