(1S)-1-[3-fluoro-2-(1H-imidazol-5-yl)phenyl]ethanamine

C11H12FN3 — CID 174710447

IUPAC(1S)-1-[3-fluoro-2-(1H-imidazol-5-yl)phenyl]ethanamine
SMILESC[C@H](N)c1cccc(F)c1-c1cnc[nH]1
InChIInChI=1S/C11H12FN3/c1-7(13)8-3-2-4-9(12)11(8)10-5-14-6-15-10/h2-7H,13H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyHBABRVUSIKCRSD-ZETCQYMHSA-N
MW205.24 g/mol
LogP2.24
Rot. Bonds2

About (1S)-1-[3-fluoro-2-(1H-imidazol-5-yl)phenyl]ethanamine

(1S)-1-[3-fluoro-2-(1H-imidazol-5-yl)phenyl]ethanamine (PubChem CID 174710447) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-2-(1H-imidazol-5-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-2-(1H-imidazol-5-yl)phenyl]ethanamine
PubChem CID174710447
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name(1S)-1-[3-fluoro-2-(1H-imidazol-5-yl)phenyl]ethanamine
SMILESC[C@H](N)c1cccc(F)c1-c1cnc[nH]1
InChIInChI=1S/C11H12FN3/c1-7(13)8-3-2-4-9(12)11(8)10-5-14-6-15-10/h2-7H,13H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyHBABRVUSIKCRSD-ZETCQYMHSA-N
XLogP2.24
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Dexmedetomidine Hydrochloride
CID 6918081
Detomidine Hydrochloride
CID 56031
Medetomidine Hydrochloride
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2-Phenylimidazole
CID 69591
Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
4-(4-Chlorophenyl)Imidazole
CID 448632
Fipamezole
CID 213041

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-2-(1H-imidazol-5-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-fluoro-2-(1H-imidazol-5-yl)phenyl]ethanamine (CID 174710447) is (1S)-1-[3-fluoro-2-(1H-imidazol-5-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-fluoro-2-(1H-imidazol-5-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-fluoro-2-(1H-imidazol-5-yl)phenyl]ethanamine is C[C@H](N)c1cccc(F)c1-c1cnc[nH]1.
What is the InChIKey of (1S)-1-[3-fluoro-2-(1H-imidazol-5-yl)phenyl]ethanamine?
The InChIKey is HBABRVUSIKCRSD-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12FN3/c1-7(13)8-3-2-4-9(12)11(8)10-5-14-6-15-10/h2-7H,13H2,1H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-2-(1H-imidazol-5-yl)phenyl]ethanamine?
(1S)-1-[3-fluoro-2-(1H-imidazol-5-yl)phenyl]ethanamine has a molecular weight of 205.24 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-fluoro-2-(1H-imidazol-5-yl)phenyl]ethanamine is sourced from PubChem (CID 174710447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).