2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine

C13H15ClFN3 — CID 114023214

IUPAC2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
SMILESCNC(Cc1cccc(F)c1Cl)c1cn(C)cn1
InChIInChI=1S/C13H15ClFN3/c1-16-11(12-7-18(2)8-17-12)6-9-4-3-5-10(15)13(9)14/h3-5,7-8,11,16H,6H2,1-2H3
InChIKeyBOVRRIOZNYIGQR-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.72
Rot. Bonds4

About 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine

2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine (PubChem CID 114023214) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
PubChem CID114023214
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
SMILESCNC(Cc1cccc(F)c1Cl)c1cn(C)cn1
InChIInChI=1S/C13H15ClFN3/c1-16-11(12-7-18(2)8-17-12)6-9-4-3-5-10(15)13(9)14/h3-5,7-8,11,16H,6H2,1-2H3
InChIKeyBOVRRIOZNYIGQR-UHFFFAOYSA-N
XLogP2.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloro-3-fluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
CID 107977183
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107974361
1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine
CID 112653601
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 105032442
2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200891
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 115983761
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032328
2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 112653682
2-(2-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
CID 105178864
2-(3-bromophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107973641
2-(3-chloro-2-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107977894

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine (CID 114023214) is 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine is CNC(Cc1cccc(F)c1Cl)c1cn(C)cn1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine?
The InChIKey is BOVRRIOZNYIGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-16-11(12-7-18(2)8-17-12)6-9-4-3-5-10(15)13(9)14/h3-5,7-8,11,16H,6H2,1-2H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine?
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine has a molecular weight of 267.74 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 114023214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).