(3-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanamine

C12H13BrFN3 — CID 114020081

IUPAC(3-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanamine
SMILESCCn1ccnc1C(N)c1cccc(Br)c1F
InChIInChI=1S/C12H13BrFN3/c1-2-17-7-6-16-12(17)11(15)8-4-3-5-9(13)10(8)14/h3-7,11H,2,15H2,1H3
InChIKeyUHFCOOGUQFDWTF-UHFFFAOYSA-N
MW298.16 g/mol
LogP2.85
Rot. Bonds3

About (3-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanamine

(3-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanamine (PubChem CID 114020081) has the molecular formula C12H13BrFN3 and a molecular weight of 298.16 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanamine
PubChem CID114020081
Molecular FormulaC12H13BrFN3
Molecular Weight298.16 g/mol
Exact Mass297.03
IUPAC Name(3-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanamine
SMILESCCn1ccnc1C(N)c1cccc(Br)c1F
InChIInChI=1S/C12H13BrFN3/c1-2-17-7-6-16-12(17)11(15)8-4-3-5-9(13)10(8)14/h3-7,11H,2,15H2,1H3
InChIKeyUHFCOOGUQFDWTF-UHFFFAOYSA-N
XLogP2.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethylimidazol-2-yl)-(2-methylsulfanylphenyl)methanamine
CID 79206936
(1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 61315339
(4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine
CID 82772685
(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
CID 131190372
1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine
CID 106647656
(3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine
CID 106648293
(1-propylimidazol-2-yl)-quinoxalin-5-ylmethanamine
CID 104615599
1-(3-bromo-2-fluorophenyl)butan-1-amine
CID 103692974
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
(3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine
CID 106648243
[1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 107954276
(3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054772

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanamine (CID 114020081) is (3-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanamine is CCn1ccnc1C(N)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanamine?
The InChIKey is UHFCOOGUQFDWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3/c1-2-17-7-6-16-12(17)11(15)8-4-3-5-9(13)10(8)14/h3-7,11H,2,15H2,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanamine?
(3-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanamine has a molecular weight of 298.16 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanamine is sourced from PubChem (CID 114020081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).