(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine

C13H17N3 — CID 104941869

IUPAC(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cncn1CCc1ccccc1
InChIInChI=1S/C13H17N3/c1-11(14)13-9-15-10-16(13)8-7-12-5-3-2-4-6-12/h2-6,9-11H,7-8,14H2,1H3/t11-/m0/s1
InChIKeyNMEGQMWSRVTOFO-NSHDSACASA-N
MW215.30 g/mol
LogP2.15
Rot. Bonds4

About (1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine

(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine (PubChem CID 104941869) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is (1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
PubChem CID104941869
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cncn1CCc1ccccc1
InChIInChI=1S/C13H17N3/c1-11(14)13-9-15-10-16(13)8-7-12-5-3-2-4-6-12/h2-6,9-11H,7-8,14H2,1H3/t11-/m0/s1
InChIKeyNMEGQMWSRVTOFO-NSHDSACASA-N
XLogP2.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine (CID 104941869) is (1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine is C[C@H](N)c1cncn1CCc1ccccc1.
What is the InChIKey of (1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine?
The InChIKey is NMEGQMWSRVTOFO-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N3/c1-11(14)13-9-15-10-16(13)8-7-12-5-3-2-4-6-12/h2-6,9-11H,7-8,14H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine?
(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104941869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).