N-[[3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine

C16H23N3O2 — CID 102999610

IUPACN-[[3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCCc2ccnn2C)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-4-17-12-13-5-6-15(16(11-13)20-3)21-10-8-14-7-9-18-19(14)2/h5-7,9,11,17H,4,8,10,12H2,1-3H3
InChIKeyNFHFTKZHNWVBFS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.16
Rot. Bonds8

About N-[[3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine

N-[[3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine (PubChem CID 102999610) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine
PubChem CID102999610
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCCc2ccnn2C)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-4-17-12-13-5-6-15(16(11-13)20-3)21-10-8-14-7-9-18-19(14)2/h5-7,9,11,17H,4,8,10,12H2,1-3H3
InChIKeyNFHFTKZHNWVBFS-UHFFFAOYSA-N
XLogP2.16
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999612
N-[[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527142
N-[[5-chloro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine
CID 102999589
2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 103013023
N-[[4-methoxy-3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine
CID 102999613
N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine
CID 61494612
1-ethyl-2-[(3-methoxy-4-propoxyphenyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111956277
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694574
2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111953562
N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethoxy]-4-nitrophenyl]methanamine
CID 102999725
N-[[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 61484060
N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 62127738

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine (CID 102999610) is N-[[3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine is CCNCc1ccc(OCCc2ccnn2C)c(OC)c1.
What is the InChIKey of N-[[3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is NFHFTKZHNWVBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-17-12-13-5-6-15(16(11-13)20-3)21-10-8-14-7-9-18-19(14)2/h5-7,9,11,17H,4,8,10,12H2,1-3H3.
What are the key properties of N-[[3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine?
N-[[3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 102999610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).