(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine

C14H19N3 — CID 113358871

IUPAC(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine
SMILESCCc1nccn1-c1ccccc1[C@@H](N)CC
InChIInChI=1S/C14H19N3/c1-3-12(15)11-7-5-6-8-13(11)17-10-9-16-14(17)4-2/h5-10,12H,3-4,15H2,1-2H3/t12-/m0/s1
InChIKeyNKRZHSFYEMAQET-LBPRGKRZSA-N
MW229.33 g/mol
LogP2.84
Rot. Bonds4

About (1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine

(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine (PubChem CID 113358871) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine
PubChem CID113358871
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine
SMILESCCc1nccn1-c1ccccc1[C@@H](N)CC
InChIInChI=1S/C14H19N3/c1-3-12(15)11-7-5-6-8-13(11)17-10-9-16-14(17)4-2/h5-10,12H,3-4,15H2,1-2H3/t12-/m0/s1
InChIKeyNKRZHSFYEMAQET-LBPRGKRZSA-N
XLogP2.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine
CID 103959121
(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-ol
CID 103960371
1-[2-(2-ethylimidazol-1-yl)phenyl]-N-methylethanamine
CID 61405160
(1R)-1-[2-(4,5-dimethylimidazol-1-yl)phenyl]propan-1-amine
CID 103959144
1-[2-(2-propylimidazol-1-yl)phenyl]propan-1-ol
CID 112679064
1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine
CID 112678344
1-[2-(1-aminopropyl)phenyl]imidazole-4,5-dicarbonitrile
CID 112678375
2-(2-ethylimidazol-1-yl)-1-(2-methylphenyl)ethanamine
CID 61402571
(1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine
CID 55182802
1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677803
5-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81224764
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine (CID 113358871) is (1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine is CCc1nccn1-c1ccccc1[C@@H](N)CC.
What is the InChIKey of (1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine?
The InChIKey is NKRZHSFYEMAQET-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-12(15)11-7-5-6-8-13(11)17-10-9-16-14(17)4-2/h5-10,12H,3-4,15H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine?
(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 113358871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).