N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine

C13H15ClFN3 — CID 60694693

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCC(NCc1ncc(Cl)n1C)c1cccc(F)c1
InChIInChI=1S/C13H15ClFN3/c1-9(10-4-3-5-11(15)6-10)16-8-13-17-7-12(14)18(13)2/h3-7,9,16H,8H2,1-2H3
InChIKeyVEEMANLWZJOLQC-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.06
Rot. Bonds4

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 60694693) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
PubChem CID60694693
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCC(NCc1ncc(Cl)n1C)c1cccc(F)c1
InChIInChI=1S/C13H15ClFN3/c1-9(10-4-3-5-11(15)6-10)16-8-13-17-7-12(14)18(13)2/h3-7,9,16H,8H2,1-2H3
InChIKeyVEEMANLWZJOLQC-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410114
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 104878345
1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 55152900
(1S)-1-(3-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 81364798
1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682035
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine
CID 43401980
N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115761361
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62414083
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663310
(1S)-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365053
N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43080559
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
CID 43088251

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine (CID 60694693) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine is CC(NCc1ncc(Cl)n1C)c1cccc(F)c1.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is VEEMANLWZJOLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-9(10-4-3-5-11(15)6-10)16-8-13-17-7-12(14)18(13)2/h3-7,9,16H,8H2,1-2H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 267.74 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 60694693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).