N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine

C14H18FN3 — CID 66133152

IUPACN-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCCn1cncc1CNC(C)c1cccc(F)c1
InChIInChI=1S/C14H18FN3/c1-3-18-10-16-8-14(18)9-17-11(2)12-5-4-6-13(15)7-12/h4-8,10-11,17H,3,9H2,1-2H3
InChIKeyHEFXACGQEXNDDN-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.89
Rot. Bonds5

About N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine

N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 66133152) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
PubChem CID66133152
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCCn1cncc1CNC(C)c1cccc(F)c1
InChIInChI=1S/C14H18FN3/c1-3-18-10-16-8-14(18)9-17-11(2)12-5-4-6-13(15)7-12/h4-8,10-11,17H,3,9H2,1-2H3
InChIKeyHEFXACGQEXNDDN-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81365622
(1R)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81369190
(1S)-1-(3-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 81364798
(1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376063
N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 66133621
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66244272
1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682035
(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81365024
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663310
N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 66133359
(1S)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365165

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine (CID 66133152) is N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine is CCn1cncc1CNC(C)c1cccc(F)c1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is HEFXACGQEXNDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-18-10-16-8-14(18)9-17-11(2)12-5-4-6-13(15)7-12/h4-8,10-11,17H,3,9H2,1-2H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine?
N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 247.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 66133152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).