N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine

C13H17N3O — CID 60880617

IUPACN-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
SMILESCNCc1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C13H17N3O/c1-14-9-11-3-5-12(6-4-11)17-10-13-15-7-8-16(13)2/h3-8,14H,9-10H2,1-2H3
InChIKeyFEUXOBDZOQPNHV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.72
Rot. Bonds5

About N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine

N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine (PubChem CID 60880617) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
PubChem CID60880617
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
SMILESCNCc1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C13H17N3O/c1-14-9-11-3-5-12(6-4-11)17-10-13-15-7-8-16(13)2/h3-8,14H,9-10H2,1-2H3
InChIKeyFEUXOBDZOQPNHV-UHFFFAOYSA-N
XLogP1.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60956793
2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetonitrile
CID 43144039
2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride
CID 42962680
4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol
CID 56796537
(2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276258
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60880506
(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 78932968
N-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62698762
(2R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95290592
1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol
CID 60523622
(NZ)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine
CID 5409333
N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine
CID 820947

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine (CID 60880617) is N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine is CNCc1ccc(OCc2nccn2C)cc1.
What is the InChIKey of N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine?
The InChIKey is FEUXOBDZOQPNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-14-9-11-3-5-12(6-4-11)17-10-13-15-7-8-16(13)2/h3-8,14H,9-10H2,1-2H3.
What are the key properties of N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine?
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine has a molecular weight of 231.30 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 N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 60880617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).