(1S)-1-[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]ethanamine

C19H20FN3 — CID 125466541

IUPAC(1S)-1-[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1-c1cncn1CCc1ccc(F)cc1
InChIInChI=1S/C19H20FN3/c1-14(21)17-4-2-3-5-18(17)19-12-22-13-23(19)11-10-15-6-8-16(20)9-7-15/h2-9,12-14H,10-11,21H2,1H3/t14-/m0/s1
InChIKeyNSSOKDHYSWMURR-AWEZNQCLSA-N
MW309.39 g/mol
LogP3.95
Rot. Bonds5

About (1S)-1-[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]ethanamine

(1S)-1-[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]ethanamine (PubChem CID 125466541) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is (1S)-1-[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]ethanamine
PubChem CID125466541
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name(1S)-1-[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1-c1cncn1CCc1ccc(F)cc1
InChIInChI=1S/C19H20FN3/c1-14(21)17-4-2-3-5-18(17)19-12-22-13-23(19)11-10-15-6-8-16(20)9-7-15/h2-9,12-14H,10-11,21H2,1H3/t14-/m0/s1
InChIKeyNSSOKDHYSWMURR-AWEZNQCLSA-N
XLogP3.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 104941869
3-[[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]-phenylmethyl]-2-(4-methylpiperazin-1-yl)-2H-1,3-thiazole-5-sulfonamide
CID 134518454
5-(chloromethyl)-1-[2-(4-fluorophenyl)ethyl]imidazole;hydrochloride
CID 18410175
3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]pyridin-4-amine
CID 114718909
(4-chlorophenyl) 2-[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]pyrrolidine-1-carboxylate
CID 118087398
(1S)-1-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
CID 114009439
1-[2-(2,4-difluorophenyl)phenyl]ethanamine
CID 22482376
1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
CID 106261741
1-[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethanamine
CID 103085331
[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanol
CID 125481305
1-[2-(1-methylimidazol-2-yl)phenyl]ethanamine
CID 63976847
1-[2-(4-fluorophenyl)ethyl]pyrazol-4-amine
CID 83532506

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]ethanamine (CID 125466541) is (1S)-1-[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]ethanamine is C[C@H](N)c1ccccc1-c1cncn1CCc1ccc(F)cc1.
What is the InChIKey of (1S)-1-[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]ethanamine?
The InChIKey is NSSOKDHYSWMURR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20FN3/c1-14(21)17-4-2-3-5-18(17)19-12-22-13-23(19)11-10-15-6-8-16(20)9-7-15/h2-9,12-14H,10-11,21H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]ethanamine?
(1S)-1-[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]ethanamine has a molecular weight of 309.39 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]ethanamine is sourced from PubChem (CID 125466541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).