(1R)-1-[2-(4,5-dimethylimidazol-1-yl)phenyl]propan-1-amine

C14H19N3 — CID 103959144

IUPAC(1R)-1-[2-(4,5-dimethylimidazol-1-yl)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1-n1cnc(C)c1C
InChIInChI=1S/C14H19N3/c1-4-13(15)12-7-5-6-8-14(12)17-9-16-10(2)11(17)3/h5-9,13H,4,15H2,1-3H3/t13-/m1/s1
InChIKeyIFXGZHUNBCYBQJ-CYBMUJFWSA-N
MW229.33 g/mol
LogP2.90
Rot. Bonds3

About (1R)-1-[2-(4,5-dimethylimidazol-1-yl)phenyl]propan-1-amine

(1R)-1-[2-(4,5-dimethylimidazol-1-yl)phenyl]propan-1-amine (PubChem CID 103959144) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (1R)-1-[2-(4,5-dimethylimidazol-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-(4,5-dimethylimidazol-1-yl)phenyl]propan-1-amine
PubChem CID103959144
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(1R)-1-[2-(4,5-dimethylimidazol-1-yl)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1-n1cnc(C)c1C
InChIInChI=1S/C14H19N3/c1-4-13(15)12-7-5-6-8-14(12)17-9-16-10(2)11(17)3/h5-9,13H,4,15H2,1-3H3/t13-/m1/s1
InChIKeyIFXGZHUNBCYBQJ-CYBMUJFWSA-N
XLogP2.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine
CID 115995444
(1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine
CID 103959121
1-[2-(1-aminopropyl)phenyl]imidazole-4,5-dicarbonitrile
CID 112678375
(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine
CID 113358871
1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine
CID 112678344
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
N-[[2-(4,5-dimethylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 55148196
1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 115995461
1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide
CID 113358878
1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]propan-1-amine
CID 112678493
1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine
CID 63942141
(1R)-1-[2-(8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-amine
CID 103958889

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4,5-dimethylimidazol-1-yl)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-(4,5-dimethylimidazol-1-yl)phenyl]propan-1-amine (CID 103959144) is (1R)-1-[2-(4,5-dimethylimidazol-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-(4,5-dimethylimidazol-1-yl)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-(4,5-dimethylimidazol-1-yl)phenyl]propan-1-amine is CC[C@@H](N)c1ccccc1-n1cnc(C)c1C.
What is the InChIKey of (1R)-1-[2-(4,5-dimethylimidazol-1-yl)phenyl]propan-1-amine?
The InChIKey is IFXGZHUNBCYBQJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-13(15)12-7-5-6-8-14(12)17-9-16-10(2)11(17)3/h5-9,13H,4,15H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-[2-(4,5-dimethylimidazol-1-yl)phenyl]propan-1-amine?
(1R)-1-[2-(4,5-dimethylimidazol-1-yl)phenyl]propan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4,5-dimethylimidazol-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 103959144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).