N-methyl-1-[3-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]phenyl]methanamine

C16H23N3O — CID 62442521

IUPACN-methyl-1-[3-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]phenyl]methanamine
SMILESCNCc1cccc(OCCn2nc(C)c(C)c2C)c1
InChIInChI=1S/C16H23N3O/c1-12-13(2)18-19(14(12)3)8-9-20-16-7-5-6-15(10-16)11-17-4/h5-7,10,17H,8-9,11H2,1-4H3
InChIKeyZSUHUFYTEBBNOT-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.61
Rot. Bonds6

About N-methyl-1-[3-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]phenyl]methanamine

N-methyl-1-[3-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]phenyl]methanamine (PubChem CID 62442521) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-1-[3-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]phenyl]methanamine
PubChem CID62442521
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-methyl-1-[3-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]phenyl]methanamine
SMILESCNCc1cccc(OCCn2nc(C)c(C)c2C)c1
InChIInChI=1S/C16H23N3O/c1-12-13(2)18-19(14(12)3)8-9-20-16-7-5-6-15(10-16)11-17-4/h5-7,10,17H,8-9,11H2,1-4H3
InChIKeyZSUHUFYTEBBNOT-UHFFFAOYSA-N
XLogP2.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62440640
N-methyl-1-[3-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethoxy]phenyl]methanamine
CID 106598180
1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62446862
N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine
CID 116793642
1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62419745
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine
CID 141109153
6-[3-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702363
N-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62440828
N-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64801948

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]phenyl]methanamine (CID 62442521) is N-methyl-1-[3-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]phenyl]methanamine is CNCc1cccc(OCCn2nc(C)c(C)c2C)c1.
What is the InChIKey of N-methyl-1-[3-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]phenyl]methanamine?
The InChIKey is ZSUHUFYTEBBNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-13(2)18-19(14(12)3)8-9-20-16-7-5-6-15(10-16)11-17-4/h5-7,10,17H,8-9,11H2,1-4H3.
What are the key properties of N-methyl-1-[3-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]phenyl]methanamine?
N-methyl-1-[3-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]phenyl]methanamine has a molecular weight of 273.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 62442521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).