(1R)-1-[1-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine

C13H15ClFN3 — CID 114265955

IUPAC(1R)-1-[1-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
SMILESCc1nc([C@@H](C)N)cn1Cc1cccc(F)c1Cl
InChIInChI=1S/C13H15ClFN3/c1-8(16)12-7-18(9(2)17-12)6-10-4-3-5-11(15)13(10)14/h3-5,7-8H,6,16H2,1-2H3/t8-/m1/s1
InChIKeyHJOBQNYSQZNARC-MRVPVSSYSA-N
MW267.74 g/mol
LogP3.05
Rot. Bonds3

About (1R)-1-[1-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine

(1R)-1-[1-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine (PubChem CID 114265955) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is (1R)-1-[1-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[1-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
PubChem CID114265955
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name(1R)-1-[1-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
SMILESCc1nc([C@@H](C)N)cn1Cc1cccc(F)c1Cl
InChIInChI=1S/C13H15ClFN3/c1-8(16)12-7-18(9(2)17-12)6-10-4-3-5-11(15)13(10)14/h3-5,7-8H,6,16H2,1-2H3/t8-/m1/s1
InChIKeyHJOBQNYSQZNARC-MRVPVSSYSA-N
XLogP3.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
CID 114265923
1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole
CID 112654456
1-[1-[(5-fluoro-3-pyridinyl)methyl]-2-methylimidazol-4-yl]ethanamine
CID 114265918
2-(2-chloro-3-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 112653700
1-[1-[(2-chloro-3-fluorophenyl)methyl]triazol-4-yl]butan-1-amine
CID 106229222
(1R)-1-[1-[(4-chlorophenyl)methyl]-2-ethylimidazol-4-yl]ethanamine
CID 114266059
2-(2-chloro-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 112653778
2-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
CID 82304935
[1-[(2-chloro-3-fluorophenyl)methyl]indol-7-yl]methanamine
CID 115984379
1-chloro-N-[(2-chloro-3-fluorophenyl)methyl]propan-2-amine
CID 112654379
1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 112651722
1-[(2-chloro-3-fluorophenyl)methyl]-3-methylimidazol-2-one
CID 116624629

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[1-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine (CID 114265955) is (1R)-1-[1-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[1-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[1-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine is Cc1nc([C@@H](C)N)cn1Cc1cccc(F)c1Cl.
What is the InChIKey of (1R)-1-[1-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine?
The InChIKey is HJOBQNYSQZNARC-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-8(16)12-7-18(9(2)17-12)6-10-4-3-5-11(15)13(10)14/h3-5,7-8H,6,16H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-[1-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine?
(1R)-1-[1-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine has a molecular weight of 267.74 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[(2-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine is sourced from PubChem (CID 114265955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).