(1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine

C14H19N3O — CID 63650710

IUPAC(1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
SMILESCc1ccc([C@@H](C)N)c(OCc2nccn2C)c1
InChIInChI=1S/C14H19N3O/c1-10-4-5-12(11(2)15)13(8-10)18-9-14-16-6-7-17(14)3/h4-8,11H,9,15H2,1-3H3/t11-/m1/s1
InChIKeyFVDMMDAELBKICL-LLVKDONJSA-N
MW245.33 g/mol
LogP2.33
Rot. Bonds4

About (1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine

(1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine (PubChem CID 63650710) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
PubChem CID63650710
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
SMILESCc1ccc([C@@H](C)N)c(OCc2nccn2C)c1
InChIInChI=1S/C14H19N3O/c1-10-4-5-12(11(2)15)13(8-10)18-9-14-16-6-7-17(14)3/h4-8,11H,9,15H2,1-3H3/t11-/m1/s1
InChIKeyFVDMMDAELBKICL-LLVKDONJSA-N
XLogP2.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(1-methylimidazol-2-yl)methoxy]aniline
CID 39201519
(1R)-1-[4-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 104934285
1-[4-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 55244186
(1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
CID 63650094
1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63641471
(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629
(1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 78935716
1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63065305
1-[4-bromo-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine
CID 102947321
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60880506
(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 78932968
(1R)-1-[4-bromo-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
CID 102946674

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine (CID 63650710) is (1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine is Cc1ccc([C@@H](C)N)c(OCc2nccn2C)c1.
What is the InChIKey of (1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is FVDMMDAELBKICL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-4-5-12(11(2)15)13(8-10)18-9-14-16-6-7-17(14)3/h4-8,11H,9,15H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine?
(1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methyl-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 63650710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).