(1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine

C12H14FN3 — CID 104942142

IUPAC(1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine
SMILESCc1ccc(-n2cncc2[C@H](C)N)c(F)c1
InChIInChI=1S/C12H14FN3/c1-8-3-4-11(10(13)5-8)16-7-15-6-12(16)9(2)14/h3-7,9H,14H2,1-2H3/t9-/m0/s1
InChIKeyXDNLTIVNCJZQNE-VIFPVBQESA-N
MW219.26 g/mol
LogP2.34
Rot. Bonds2

About (1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine

(1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine (PubChem CID 104942142) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is (1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine
PubChem CID104942142
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name(1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine
SMILESCc1ccc(-n2cncc2[C@H](C)N)c(F)c1
InChIInChI=1S/C12H14FN3/c1-8-3-4-11(10(13)5-8)16-7-15-6-12(16)9(2)14/h3-7,9H,14H2,1-2H3/t9-/m0/s1
InChIKeyXDNLTIVNCJZQNE-VIFPVBQESA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 114704000
(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
CID 104943469
(1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 104941508
(1S)-1-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanamine
CID 104942363
4-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-3-methylphenol
CID 104943282
1-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969435
[3-(2-fluoro-5-methylphenyl)imidazol-4-yl]-phenylmethanamine
CID 114704029
(1R)-1-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]ethanamine
CID 104942944
(1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine
CID 104941597
(1R)-1-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]ethanamine
CID 104942927
(1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine
CID 104942294
(1S)-1-[3-(2-methylsulfanylphenyl)imidazol-4-yl]ethanamine
CID 107649069

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine (CID 104942142) is (1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine is Cc1ccc(-n2cncc2[C@H](C)N)c(F)c1.
What is the InChIKey of (1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine?
The InChIKey is XDNLTIVNCJZQNE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14FN3/c1-8-3-4-11(10(13)5-8)16-7-15-6-12(16)9(2)14/h3-7,9H,14H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine?
(1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine has a molecular weight of 219.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104942142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).