(1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]ethanamine

C15H21N3O2 — CID 78936245

IUPAC(1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]ethanamine
SMILESCCn1ccnc1COc1ccc([C@H](C)N)cc1OC
InChIInChI=1S/C15H21N3O2/c1-4-18-8-7-17-15(18)10-20-13-6-5-12(11(2)16)9-14(13)19-3/h5-9,11H,4,10,16H2,1-3H3/t11-/m0/s1
InChIKeyIRMABPHBJREWAM-NSHDSACASA-N
MW275.35 g/mol
LogP2.51
Rot. Bonds6

About (1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]ethanamine

(1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]ethanamine (PubChem CID 78936245) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]ethanamine
PubChem CID78936245
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]ethanamine
SMILESCCn1ccnc1COc1ccc([C@H](C)N)cc1OC
InChIInChI=1S/C15H21N3O2/c1-4-18-8-7-17-15(18)10-20-13-6-5-12(11(2)16)9-14(13)19-3/h5-9,11H,4,10,16H2,1-3H3/t11-/m0/s1
InChIKeyIRMABPHBJREWAM-NSHDSACASA-N
XLogP2.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 55109188
(1R)-1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30110379
(1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 78935716
N-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60882672
1-(3-methoxy-4-nonoxyphenyl)ethanamine
CID 43129036
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
(1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041458
1-[3-methoxy-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61497402
[2-(1-ethylimidazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105321910
(1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-ol
CID 78932314
2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole
CID 62736045
1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63021499

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]ethanamine?
The IUPAC name of (1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]ethanamine (CID 78936245) is (1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]ethanamine is CCn1ccnc1COc1ccc([C@H](C)N)cc1OC.
What is the InChIKey of (1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]ethanamine?
The InChIKey is IRMABPHBJREWAM-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-18-8-7-17-15(18)10-20-13-6-5-12(11(2)16)9-14(13)19-3/h5-9,11H,4,10,16H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]ethanamine?
(1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]ethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]ethanamine is sourced from PubChem (CID 78936245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).