N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine

C14H19N3O2 — CID 116793642

IUPACN-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine
SMILESCNCc1cccc(OCCOc2cnn(C)c2)c1
InChIInChI=1S/C14H19N3O2/c1-15-9-12-4-3-5-13(8-12)18-6-7-19-14-10-16-17(2)11-14/h3-5,8,10-11,15H,6-7,9H2,1-2H3
InChIKeyQYRAZPBGZIXMRJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.60
Rot. Bonds7

About N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine

N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine (PubChem CID 116793642) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine
PubChem CID116793642
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine
SMILESCNCc1cccc(OCCOc2cnn(C)c2)c1
InChIInChI=1S/C14H19N3O2/c1-15-9-12-4-3-5-13(8-12)18-6-7-19-14-10-16-17(2)11-14/h3-5,8,10-11,15H,6-7,9H2,1-2H3
InChIKeyQYRAZPBGZIXMRJ-UHFFFAOYSA-N
XLogP1.60
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[3-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
CID 116793113
N-methyl-1-[3-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethoxy]phenyl]methanamine
CID 106598180
1-methyl-4-(2-phenoxyethoxy)pyrazole
CID 115753034
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999603
1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62419745
N-[[3-[2-(1-ethylpyrazol-4-yl)oxyethoxy]phenyl]methyl]ethanamine
CID 116803276
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503
1-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62440640
N-[(3-butoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 86996111
N-methyl-1-[5-methyl-6-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methanamine
CID 116793108
N-methyl-1-[3-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]phenyl]methanamine
CID 62442521

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine (CID 116793642) is N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine is CNCc1cccc(OCCOc2cnn(C)c2)c1.
What is the InChIKey of N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine?
The InChIKey is QYRAZPBGZIXMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-9-12-4-3-5-13(8-12)18-6-7-19-14-10-16-17(2)11-14/h3-5,8,10-11,15H,6-7,9H2,1-2H3.
What are the key properties of N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine?
N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine has a molecular weight of 261.32 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine is sourced from PubChem (CID 116793642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).