1-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylbutan-2-amine

C10H18ClN3O — CID 106938331

IUPAC1-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylbutan-2-amine
SMILESCCC(C)(N)COCc1ncc(Cl)n1C
InChIInChI=1S/C10H18ClN3O/c1-4-10(2,12)7-15-6-9-13-5-8(11)14(9)3/h5H,4,6-7,12H2,1-3H3
InChIKeyZPRRHRHVGKABQT-UHFFFAOYSA-N
MW231.73 g/mol
LogP1.72
Rot. Bonds5

About 1-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylbutan-2-amine

1-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylbutan-2-amine (PubChem CID 106938331) has the molecular formula C10H18ClN3O and a molecular weight of 231.73 g/mol. Its IUPAC name is 1-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylbutan-2-amine
PubChem CID106938331
Molecular FormulaC10H18ClN3O
Molecular Weight231.73 g/mol
Exact Mass231.11
IUPAC Name1-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylbutan-2-amine
SMILESCCC(C)(N)COCc1ncc(Cl)n1C
InChIInChI=1S/C10H18ClN3O/c1-4-10(2,12)7-15-6-9-13-5-8(11)14(9)3/h5H,4,6-7,12H2,1-3H3
InChIKeyZPRRHRHVGKABQT-UHFFFAOYSA-N
XLogP1.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-1-methylimidazol-2-yl)-N-ethoxymethanamine
CID 60702467
(5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride
CID 119057052
2-methyl-1-(pyridin-3-ylmethoxy)butan-2-amine
CID 64572514
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine
CID 78932860
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethoxyethanamine
CID 43591015
2-[(5-chloro-1-methylimidazol-2-yl)methoxymethyl]piperidine
CID 106937782
N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63063923
2-[(5-chloro-1-methylimidazol-2-yl)methoxy]cyclohexan-1-amine
CID 106938978
1-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylbutan-2-amine
CID 79733959
2-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]pyridine
CID 64983187
5-chloro-2-(3-chloropropyl)-1-methylimidazole
CID 165445554
3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol
CID 43144116

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylbutan-2-amine?
The IUPAC name of 1-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylbutan-2-amine (CID 106938331) is 1-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylbutan-2-amine.
What is the SMILES notation for 1-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylbutan-2-amine?
The canonical SMILES for 1-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylbutan-2-amine is CCC(C)(N)COCc1ncc(Cl)n1C.
What is the InChIKey of 1-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylbutan-2-amine?
The InChIKey is ZPRRHRHVGKABQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O/c1-4-10(2,12)7-15-6-9-13-5-8(11)14(9)3/h5H,4,6-7,12H2,1-3H3.
What are the key properties of 1-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylbutan-2-amine?
1-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylbutan-2-amine has a molecular weight of 231.73 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylbutan-2-amine is sourced from PubChem (CID 106938331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).