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

C15H21N3O — CID 66153632

IUPAC(1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
SMILESCC(C)n1cncc1COc1ccc([C@H](C)N)cc1
InChIInChI=1S/C15H21N3O/c1-11(2)18-10-17-8-14(18)9-19-15-6-4-13(5-7-15)12(3)16/h4-8,10-12H,9,16H2,1-3H3/t12-/m0/s1
InChIKeyUXKHBQKNKKYQMH-LBPRGKRZSA-N
MW259.35 g/mol
LogP3.06
Rot. Bonds5

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

(1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine (PubChem CID 66153632) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
PubChem CID66153632
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
SMILESCC(C)n1cncc1COc1ccc([C@H](C)N)cc1
InChIInChI=1S/C15H21N3O/c1-11(2)18-10-17-8-14(18)9-19-15-6-4-13(5-7-15)12(3)16/h4-8,10-12H,9,16H2,1-3H3/t12-/m0/s1
InChIKeyUXKHBQKNKKYQMH-LBPRGKRZSA-N
XLogP3.06
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
CID 107709544
(1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 82002809
5-[(6-bromonaphthalen-2-yl)oxymethyl]-1-propan-2-ylimidazole
CID 66154990
N-[[5-[(3-propan-2-ylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781690
(1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64771249
1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]propan-1-amine
CID 66153014
(1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 79025613
(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30072177
1-[4-(pyrazin-2-ylmethoxy)phenyl]ethanamine
CID 117052240
5-[(2-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 66154438
(1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66139527
(1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66152982

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine (CID 66153632) is (1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine is CC(C)n1cncc1COc1ccc([C@H](C)N)cc1.
What is the InChIKey of (1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine?
The InChIKey is UXKHBQKNKKYQMH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)18-10-17-8-14(18)9-19-15-6-4-13(5-7-15)12(3)16/h4-8,10-12H,9,16H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine?
(1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 66153632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).