(1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine

C13H17N3O — CID 66142329

IUPAC(1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1OCc1cncn1C
InChIInChI=1S/C13H17N3O/c1-10(14)12-5-3-4-6-13(12)17-8-11-7-15-9-16(11)2/h3-7,9-10H,8,14H2,1-2H3/t10-/m0/s1
InChIKeyDCGNRLUWBLTGGS-JTQLQIEISA-N
MW231.30 g/mol
LogP2.02
Rot. Bonds4

About (1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine

(1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine (PubChem CID 66142329) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
PubChem CID66142329
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1OCc1cncn1C
InChIInChI=1S/C13H17N3O/c1-10(14)12-5-3-4-6-13(12)17-8-11-7-15-9-16(11)2/h3-7,9-10H,8,14H2,1-2H3/t10-/m0/s1
InChIKeyDCGNRLUWBLTGGS-JTQLQIEISA-N
XLogP2.02
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole
CID 66142372
(1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine
CID 66141718
(1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66139527
5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole
CID 103741840
(1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 79025610
5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole
CID 103990878
[2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine
CID 66140699
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 78936450
1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60878818
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 30079943
N-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 66140310

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine (CID 66142329) is (1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine is C[C@H](N)c1ccccc1OCc1cncn1C.
What is the InChIKey of (1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine?
The InChIKey is DCGNRLUWBLTGGS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(14)12-5-3-4-6-13(12)17-8-11-7-15-9-16(11)2/h3-7,9-10H,8,14H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine?
(1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 66142329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).