[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine

C13H16ClN3O2 — CID 60878684

IUPAC[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cc(CN)ccc1OCc1ncc(Cl)n1C
InChIInChI=1S/C13H16ClN3O2/c1-17-12(14)7-16-13(17)8-19-10-4-3-9(6-15)5-11(10)18-2/h3-5,7H,6,8,15H2,1-2H3
InChIKeyAMZBXZTVONNUKP-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.12
Rot. Bonds5

About [4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine

[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine (PubChem CID 60878684) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is [4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine
PubChem CID60878684
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cc(CN)ccc1OCc1ncc(Cl)n1C
InChIInChI=1S/C13H16ClN3O2/c1-17-12(14)7-16-13(17)8-19-10-4-3-9(6-15)5-11(10)18-2/h3-5,7H,6,8,15H2,1-2H3
InChIKeyAMZBXZTVONNUKP-UHFFFAOYSA-N
XLogP2.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine with MolForge

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Related Compounds

4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxybenzaldehyde
CID 43217182
[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60878682
[3-bromo-4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methanol
CID 63051976
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride
CID 42892412
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812
1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine
CID 60887486
(5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride
CID 119057052
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982659
[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818
[4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine
CID 66153666

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine?
The IUPAC name of [4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine (CID 60878684) is [4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine.
What is the SMILES notation for [4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine?
The canonical SMILES for [4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine is COc1cc(CN)ccc1OCc1ncc(Cl)n1C.
What is the InChIKey of [4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine?
The InChIKey is AMZBXZTVONNUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-17-12(14)7-16-13(17)8-19-10-4-3-9(6-15)5-11(10)18-2/h3-5,7H,6,8,15H2,1-2H3.
What are the key properties of [4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine?
[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine has a molecular weight of 281.74 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine is sourced from PubChem (CID 60878684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).