1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine

C12H13ClFN3 — CID 79761475

IUPAC1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CC(N)c1cccc(Cl)c1F
InChIInChI=1S/C12H13ClFN3/c1-17-6-5-16-11(17)7-10(15)8-3-2-4-9(13)12(8)14/h2-6,10H,7,15H2,1H3
InChIKeyRZWWHAIOTLHXLK-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.46
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine

1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 79761475) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID79761475
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CC(N)c1cccc(Cl)c1F
InChIInChI=1S/C12H13ClFN3/c1-17-6-5-16-11(17)7-10(15)8-3-2-4-9(13)12(8)14/h2-6,10H,7,15H2,1H3
InChIKeyRZWWHAIOTLHXLK-UHFFFAOYSA-N
XLogP2.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105011303
1-(3-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877940
1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 107994332
1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049790
1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 64713656
1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79751317
1-(1H-indol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 82387873
[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322944
(3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanol
CID 64713098
2-(1-methylimidazol-2-yl)-1-quinolin-4-ylethanamine
CID 105167218
1-(2,3-dichlorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011522
[1-(3-bromo-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 107954276

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine (CID 79761475) is 1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine is Cn1ccnc1CC(N)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is RZWWHAIOTLHXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c1-17-6-5-16-11(17)7-10(15)8-3-2-4-9(13)12(8)14/h2-6,10H,7,15H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine?
1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 253.71 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 79761475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).