1-[2-chloro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine

C13H16ClN3O — CID 113276648

IUPAC1-[2-chloro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1OCc1cnn(C)c1
InChIInChI=1S/C13H16ClN3O/c1-15-7-11-12(14)4-3-5-13(11)18-9-10-6-16-17(2)8-10/h3-6,8,15H,7,9H2,1-2H3
InChIKeyKNJQUTHYIVSUKP-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.37
Rot. Bonds5

About 1-[2-chloro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine

1-[2-chloro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 113276648) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-[2-chloro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID113276648
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name1-[2-chloro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1OCc1cnn(C)c1
InChIInChI=1S/C13H16ClN3O/c1-15-7-11-12(14)4-3-5-13(11)18-9-10-6-16-17(2)8-10/h3-6,8,15H,7,9H2,1-2H3
InChIKeyKNJQUTHYIVSUKP-UHFFFAOYSA-N
XLogP2.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-chloro-6-[(3-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 114318666
2-chloro-N'-hydroxy-6-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
CID 114323249
1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 114318711
1-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 60881865
1-[2-chloro-6-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999897
1-[3,5-dibromo-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 107741879
3-chloro-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 19626971
1-(2-chloro-6-prop-2-ynoxyphenyl)-N-methylmethanamine
CID 114318854
1-[2-chloro-6-[(2,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 114318794
4-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-1-methylpyrazole
CID 62126934
potassium trifluoro-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 63675296
N-methyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]-3-nitrophenyl]methanamine
CID 60881810

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine (CID 113276648) is 1-[2-chloro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1OCc1cnn(C)c1.
What is the InChIKey of 1-[2-chloro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is KNJQUTHYIVSUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-15-7-11-12(14)4-3-5-13(11)18-9-10-6-16-17(2)8-10/h3-6,8,15H,7,9H2,1-2H3.
What are the key properties of 1-[2-chloro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
1-[2-chloro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 265.74 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 113276648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).