1-[4-methoxy-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine

C16H23N3O2 — CID 66153594

IUPAC1-[4-methoxy-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCCCn1cncc1COc1cc(OC)ccc1CNC
InChIInChI=1S/C16H23N3O2/c1-4-7-19-12-18-10-14(19)11-21-16-8-15(20-3)6-5-13(16)9-17-2/h5-6,8,10,12,17H,4,7,9,11H2,1-3H3
InChIKeyYZJGZGYBMCHFHJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.60
Rot. Bonds8

About 1-[4-methoxy-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine

1-[4-methoxy-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 66153594) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[4-methoxy-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-methoxy-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID66153594
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[4-methoxy-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCCCn1cncc1COc1cc(OC)ccc1CNC
InChIInChI=1S/C16H23N3O2/c1-4-7-19-12-18-10-14(19)11-21-16-8-15(20-3)6-5-13(16)9-17-2/h5-6,8,10,12,17H,4,7,9,11H2,1-3H3
InChIKeyYZJGZGYBMCHFHJ-UHFFFAOYSA-N
XLogP2.60
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine
CID 66154174
1-[3-[(2,4-dimethoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 66149526
1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 107686431
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640362
N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66154561
1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 114318711
1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
CID 62736957
3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132525
1-[4-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61268156
1-[4-methoxy-2-[(3-methylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 82000208
1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 66154177
1-[4-methoxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 61269447

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-methoxy-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine (CID 66153594) is 1-[4-methoxy-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-methoxy-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-methoxy-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine is CCCn1cncc1COc1cc(OC)ccc1CNC.
What is the InChIKey of 1-[4-methoxy-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is YZJGZGYBMCHFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-7-19-12-18-10-14(19)11-21-16-8-15(20-3)6-5-13(16)9-17-2/h5-6,8,10,12,17H,4,7,9,11H2,1-3H3.
What are the key properties of 1-[4-methoxy-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
1-[4-methoxy-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 66153594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).