N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-(2-ethylpyrazol-3-yl)ethanamine

C18H27N3O2 — CID 19625166

IUPACN-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
SMILESCCOCc1cc(CNC(C)c2ccnn2CC)ccc1OC
InChIInChI=1S/C18H27N3O2/c1-5-21-17(9-10-20-21)14(3)19-12-15-7-8-18(22-4)16(11-15)13-23-6-2/h7-11,14,19H,5-6,12-13H2,1-4H3
InChIKeyZUJYYPGIGOKFNE-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.30
Rot. Bonds9

About N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-(2-ethylpyrazol-3-yl)ethanamine

N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-(2-ethylpyrazol-3-yl)ethanamine (PubChem CID 19625166) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-(2-ethylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
PubChem CID19625166
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
SMILESCCOCc1cc(CNC(C)c2ccnn2CC)ccc1OC
InChIInChI=1S/C18H27N3O2/c1-5-21-17(9-10-20-21)14(3)19-12-15-7-8-18(22-4)16(11-15)13-23-6-2/h7-11,14,19H,5-6,12-13H2,1-4H3
InChIKeyZUJYYPGIGOKFNE-UHFFFAOYSA-N
XLogP3.30
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine
CID 19625048
1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 19626652
N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)ethanamine
CID 19625214
(4S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778593
N-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine
CID 19625042
1-(2,5-dimethoxyphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115761519
N-[(2,3-difluorophenyl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
CID 19625158
1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 19627709
(1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 104939439
(1S)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 42241816
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 65022720
(2R,3S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-pyridin-3-yloxolan-3-amine
CID 120916508

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-(2-ethylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-(2-ethylpyrazol-3-yl)ethanamine (CID 19625166) is N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-(2-ethylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-(2-ethylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-(2-ethylpyrazol-3-yl)ethanamine is CCOCc1cc(CNC(C)c2ccnn2CC)ccc1OC.
What is the InChIKey of N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-(2-ethylpyrazol-3-yl)ethanamine?
The InChIKey is ZUJYYPGIGOKFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-5-21-17(9-10-20-21)14(3)19-12-15-7-8-18(22-4)16(11-15)13-23-6-2/h7-11,14,19H,5-6,12-13H2,1-4H3.
What are the key properties of N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-(2-ethylpyrazol-3-yl)ethanamine?
N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-(2-ethylpyrazol-3-yl)ethanamine has a molecular weight of 317.43 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-(2-ethylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 19625166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).