(1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine

C16H23N3O2 — CID 82002809

IUPAC(1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
SMILESCOc1ccc([C@@H](C)N)c(OCc2cncn2C(C)C)c1
InChIInChI=1S/C16H23N3O2/c1-11(2)19-10-18-8-13(19)9-21-16-7-14(20-4)5-6-15(16)12(3)17/h5-8,10-12H,9,17H2,1-4H3/t12-/m1/s1
InChIKeyOFHVXOYDYRRZRZ-GFCCVEGCSA-N
MW289.38 g/mol
LogP3.07
Rot. Bonds6

About (1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine

(1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine (PubChem CID 82002809) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
PubChem CID82002809
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
SMILESCOc1ccc([C@@H](C)N)c(OCc2cncn2C(C)C)c1
InChIInChI=1S/C16H23N3O2/c1-11(2)19-10-18-8-13(19)9-21-16-7-14(20-4)5-6-15(16)12(3)17/h5-8,10-12H,9,17H2,1-4H3/t12-/m1/s1
InChIKeyOFHVXOYDYRRZRZ-GFCCVEGCSA-N
XLogP3.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 82000083
4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde
CID 66153443
4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
CID 66154595
(1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66153632
1-[4-methoxy-2-[(3-methylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 82000208
1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66152313
(1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
CID 79027030
(1R)-1-[4-methoxy-2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]ethanamine
CID 82000414
5-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole
CID 107284312
1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine
CID 82000622
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 82000899
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole
CID 115402091

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine (CID 82002809) is (1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine is COc1ccc([C@@H](C)N)c(OCc2cncn2C(C)C)c1.
What is the InChIKey of (1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine?
The InChIKey is OFHVXOYDYRRZRZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)19-10-18-8-13(19)9-21-16-7-14(20-4)5-6-15(16)12(3)17/h5-8,10-12H,9,17H2,1-4H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine?
(1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 82002809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).