(1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine

C14H19N3O — CID 66141718

IUPAC(1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1OCc1cncn1C
InChIInChI=1S/C14H19N3O/c1-3-13(15)12-6-4-5-7-14(12)18-9-11-8-16-10-17(11)2/h4-8,10,13H,3,9,15H2,1-2H3/t13-/m1/s1
InChIKeyKRSRVKBZEIDIFZ-CYBMUJFWSA-N
MW245.33 g/mol
LogP2.41
Rot. Bonds5

About (1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine

(1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine (PubChem CID 66141718) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine
PubChem CID66141718
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1OCc1cncn1C
InChIInChI=1S/C14H19N3O/c1-3-13(15)12-6-4-5-7-14(12)18-9-11-8-16-10-17(11)2/h4-8,10,13H,3,9,15H2,1-2H3/t13-/m1/s1
InChIKeyKRSRVKBZEIDIFZ-CYBMUJFWSA-N
XLogP2.41
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66142329
1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole
CID 66142372
1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 16782190
(1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 30070823
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine
CID 78932860
[2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 114318408
5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole
CID 103741840
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole
CID 103990878
(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066
(1R)-1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine
CID 79013808

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine (CID 66141718) is (1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine is CC[C@@H](N)c1ccccc1OCc1cncn1C.
What is the InChIKey of (1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine?
The InChIKey is KRSRVKBZEIDIFZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-13(15)12-6-4-5-7-14(12)18-9-11-8-16-10-17(11)2/h4-8,10,13H,3,9,15H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine?
(1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 66141718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).