1-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]ethanamine

C12H14ClN3 — CID 165135050

IUPAC1-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(-c2nc(Cl)cn2C)cc1
InChIInChI=1S/C12H14ClN3/c1-8(14)9-3-5-10(6-4-9)12-15-11(13)7-16(12)2/h3-8H,14H2,1-2H3
InChIKeyMPYRRBMNVZRAOR-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.76
Rot. Bonds2

About 1-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]ethanamine

1-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]ethanamine (PubChem CID 165135050) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]ethanamine
PubChem CID165135050
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(-c2nc(Cl)cn2C)cc1
InChIInChI=1S/C12H14ClN3/c1-8(14)9-3-5-10(6-4-9)12-15-11(13)7-16(12)2/h3-8H,14H2,1-2H3
InChIKeyMPYRRBMNVZRAOR-UHFFFAOYSA-N
XLogP2.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]ethanamine (CID 165135050) is 1-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]ethanamine is CC(N)c1ccc(-c2nc(Cl)cn2C)cc1.
What is the InChIKey of 1-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]ethanamine?
The InChIKey is MPYRRBMNVZRAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8(14)9-3-5-10(6-4-9)12-15-11(13)7-16(12)2/h3-8H,14H2,1-2H3.
What are the key properties of 1-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]ethanamine?
1-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]ethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]ethanamine is sourced from PubChem (CID 165135050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).