[2-chloro-6-(1-methylimidazol-2-yl)oxyphenyl]methanamine

C11H12ClN3O — CID 114323851

IUPAC[2-chloro-6-(1-methylimidazol-2-yl)oxyphenyl]methanamine
SMILESCn1ccnc1Oc1cccc(Cl)c1CN
InChIInChI=1S/C11H12ClN3O/c1-15-6-5-14-11(15)16-10-4-2-3-9(12)8(10)7-13/h2-6H,7,13H2,1H3
InChIKeyCFPCMYPVJFRVIL-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.32
Rot. Bonds3

About [2-chloro-6-(1-methylimidazol-2-yl)oxyphenyl]methanamine

[2-chloro-6-(1-methylimidazol-2-yl)oxyphenyl]methanamine (PubChem CID 114323851) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is [2-chloro-6-(1-methylimidazol-2-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(1-methylimidazol-2-yl)oxyphenyl]methanamine
PubChem CID114323851
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name[2-chloro-6-(1-methylimidazol-2-yl)oxyphenyl]methanamine
SMILESCn1ccnc1Oc1cccc(Cl)c1CN
InChIInChI=1S/C11H12ClN3O/c1-15-6-5-14-11(15)16-10-4-2-3-9(12)8(10)7-13/h2-6H,7,13H2,1H3
InChIKeyCFPCMYPVJFRVIL-UHFFFAOYSA-N
XLogP2.32
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(aminomethyl)-3-chlorophenoxy]-1-methylpyrazin-2-one
CID 114323844
[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 113276561
[2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866452
2-(1-methylimidazol-2-yl)oxyphenol
CID 62133680
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
[2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 114318408
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
[2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]methanamine
CID 106541842
[2-chloro-6-(3,4-dichlorophenoxy)phenyl]methanamine
CID 63458744
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
[2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
CID 114318333
(2-chloro-6-quinazolin-4-yloxyphenyl)methanamine
CID 114323838

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(1-methylimidazol-2-yl)oxyphenyl]methanamine?
The IUPAC name of [2-chloro-6-(1-methylimidazol-2-yl)oxyphenyl]methanamine (CID 114323851) is [2-chloro-6-(1-methylimidazol-2-yl)oxyphenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(1-methylimidazol-2-yl)oxyphenyl]methanamine?
The canonical SMILES for [2-chloro-6-(1-methylimidazol-2-yl)oxyphenyl]methanamine is Cn1ccnc1Oc1cccc(Cl)c1CN.
What is the InChIKey of [2-chloro-6-(1-methylimidazol-2-yl)oxyphenyl]methanamine?
The InChIKey is CFPCMYPVJFRVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-15-6-5-14-11(15)16-10-4-2-3-9(12)8(10)7-13/h2-6H,7,13H2,1H3.
What are the key properties of [2-chloro-6-(1-methylimidazol-2-yl)oxyphenyl]methanamine?
[2-chloro-6-(1-methylimidazol-2-yl)oxyphenyl]methanamine has a molecular weight of 237.69 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(1-methylimidazol-2-yl)oxyphenyl]methanamine is sourced from PubChem (CID 114323851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).