[3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine

C12H14BrN3O — CID 66141104

IUPAC[3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
SMILESCn1cncc1COc1ccc(CN)cc1Br
InChIInChI=1S/C12H14BrN3O/c1-16-8-15-6-10(16)7-17-12-3-2-9(5-14)4-11(12)13/h2-4,6,8H,5,7,14H2,1H3
InChIKeyKUJJFENOXDOSLY-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.22
Rot. Bonds4

About [3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine

[3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 66141104) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is [3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
PubChem CID66141104
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name[3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
SMILESCn1cncc1COc1ccc(CN)cc1Br
InChIInChI=1S/C12H14BrN3O/c1-16-8-15-6-10(16)7-17-12-3-2-9(5-14)4-11(12)13/h2-4,6,8H,5,7,14H2,1H3
InChIKeyKUJJFENOXDOSLY-UHFFFAOYSA-N
XLogP2.22
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 66141714
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
[3-bromo-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methanamine
CID 63044621
[2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine
CID 66140699
[2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 114318408
N-[[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 66142328
5-methyl-2-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
CID 82921724
3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
CID 82921804
1-[5-bromo-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanone
CID 66139530
[3-bromo-4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64800018
[3-bromo-4-(3-chloroprop-2-enoxy)phenyl]methanamine
CID 76985667
[4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine
CID 66153666

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine (CID 66141104) is [3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine is Cn1cncc1COc1ccc(CN)cc1Br.
What is the InChIKey of [3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is KUJJFENOXDOSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-16-8-15-6-10(16)7-17-12-3-2-9(5-14)4-11(12)13/h2-4,6,8H,5,7,14H2,1H3.
What are the key properties of [3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine?
[3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 296.17 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 66141104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).