[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]methanamine

C15H21N3O2 — CID 117052076

IUPAC[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]methanamine
SMILESCOc1cccc(CN)c1OC(C)(C)c1nccn1C
InChIInChI=1S/C15H21N3O2/c1-15(2,14-17-8-9-18(14)3)20-13-11(10-16)6-5-7-12(13)19-4/h5-9H,10,16H2,1-4H3
InChIKeyGJOWKBUUIRFIIW-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.20
Rot. Bonds5

About [3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]methanamine

[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]methanamine (PubChem CID 117052076) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]methanamine
PubChem CID117052076
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]methanamine
SMILESCOc1cccc(CN)c1OC(C)(C)c1nccn1C
InChIInChI=1S/C15H21N3O2/c1-15(2,14-17-8-9-18(14)3)20-13-11(10-16)6-5-7-12(13)19-4/h5-9H,10,16H2,1-4H3
InChIKeyGJOWKBUUIRFIIW-UHFFFAOYSA-N
XLogP2.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]ethanone
CID 117052428
[3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 54962092
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
CID 60888797
[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
CID 43471409
[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine
CID 64552071
[2-(3,3-dimethylbutan-2-yloxy)-3-methoxyphenyl]methanamine
CID 117052036
[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
CID 43471421
(3S)-4,4,4-trifluoro-3-hydroxy-N-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)butanamide
CID 51930496
4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole
CID 83173718
2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63295676
5-methoxy-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine
CID 106538538

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]methanamine?
The IUPAC name of [3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]methanamine (CID 117052076) is [3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]methanamine.
What is the SMILES notation for [3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]methanamine?
The canonical SMILES for [3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]methanamine is COc1cccc(CN)c1OC(C)(C)c1nccn1C.
What is the InChIKey of [3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]methanamine?
The InChIKey is GJOWKBUUIRFIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,14-17-8-9-18(14)3)20-13-11(10-16)6-5-7-12(13)19-4/h5-9H,10,16H2,1-4H3.
What are the key properties of [3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]methanamine?
[3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]methanamine has a molecular weight of 275.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-[2-(1-methylimidazol-2-yl)propan-2-yloxy]phenyl]methanamine is sourced from PubChem (CID 117052076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).