(3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methanamine

C12H13BrClN3 — CID 114019284

IUPAC(3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methanamine
SMILESCCn1ccnc1C(N)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H13BrClN3/c1-2-17-4-3-16-12(17)11(15)8-5-9(13)7-10(14)6-8/h3-7,11H,2,15H2,1H3
InChIKeyFVINQFPEGVAAEZ-UHFFFAOYSA-N
MW314.61 g/mol
LogP3.37
Rot. Bonds3

About (3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methanamine

(3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methanamine (PubChem CID 114019284) has the molecular formula C12H13BrClN3 and a molecular weight of 314.61 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methanamine
PubChem CID114019284
Molecular FormulaC12H13BrClN3
Molecular Weight314.61 g/mol
Exact Mass313.00
IUPAC Name(3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methanamine
SMILESCCn1ccnc1C(N)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H13BrClN3/c1-2-17-4-3-16-12(17)11(15)8-5-9(13)7-10(14)6-8/h3-7,11H,2,15H2,1H3
InChIKeyFVINQFPEGVAAEZ-UHFFFAOYSA-N
XLogP3.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 107945889
(4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine
CID 82772685
[(3-chloro-5-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308375
(1-ethylimidazol-2-yl)-(4-ethylsulfanylphenyl)methanamine
CID 106848505
(1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 61315339
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
(6-bromonaphthalen-2-yl)-(1-propylimidazol-2-yl)methanamine
CID 115354391
(1R)-1-(3-bromo-5-chlorophenyl)butan-1-amine
CID 130706946
(4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine
CID 61316093
(4-bromo-5-chlorothiophen-2-yl)-(1-ethylimidazol-2-yl)methanol
CID 102830320
(1-ethylimidazol-2-yl)-(thiadiazol-5-yl)methanamine
CID 65215055
(3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine
CID 107950848

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methanamine?
The IUPAC name of (3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methanamine (CID 114019284) is (3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methanamine.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methanamine?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methanamine is CCn1ccnc1C(N)c1cc(Cl)cc(Br)c1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methanamine?
The InChIKey is FVINQFPEGVAAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3/c1-2-17-4-3-16-12(17)11(15)8-5-9(13)7-10(14)6-8/h3-7,11H,2,15H2,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methanamine?
(3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methanamine has a molecular weight of 314.61 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methanamine is sourced from PubChem (CID 114019284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).