2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine

C21H25N3O2 — CID 170995438

IUPAC2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine
SMILESCOCCNCc1cc(OCc2ccccc2)cc(-c2cnn(C)c2)c1
InChIInChI=1S/C21H25N3O2/c1-24-15-20(14-23-24)19-10-18(13-22-8-9-25-2)11-21(12-19)26-16-17-6-4-3-5-7-17/h3-7,10-12,14-15,22H,8-9,13,16H2,1-2H3
InChIKeyVQSHHGZIANIQGP-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.40
Rot. Bonds9

About 2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine

2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine (PubChem CID 170995438) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine
PubChem CID170995438
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine
SMILESCOCCNCc1cc(OCc2ccccc2)cc(-c2cnn(C)c2)c1
InChIInChI=1S/C21H25N3O2/c1-24-15-20(14-23-24)19-10-18(13-22-8-9-25-2)11-21(12-19)26-16-17-6-4-3-5-7-17/h3-7,10-12,14-15,22H,8-9,13,16H2,1-2H3
InChIKeyVQSHHGZIANIQGP-UHFFFAOYSA-N
XLogP3.40
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.40
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-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine
CID 170995040
N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine
CID 170995437
[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine
CID 170995038
2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966602
N-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
CID 63062517
1-methyl-4-phenylmethoxypyrazole
CID 84661432
2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62725650
2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine
CID 60955129
4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole
CID 170591109
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine
CID 116793733
3-(1-methylpyrazol-4-yl)-4-phenylmethoxybenzenethiol
CID 167225778

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine (CID 170995438) is 2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine is COCCNCc1cc(OCc2ccccc2)cc(-c2cnn(C)c2)c1.
What is the InChIKey of 2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine?
The InChIKey is VQSHHGZIANIQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-24-15-20(14-23-24)19-10-18(13-22-8-9-25-2)11-21(12-19)26-16-17-6-4-3-5-7-17/h3-7,10-12,14-15,22H,8-9,13,16H2,1-2H3.
What are the key properties of 2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine?
2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine has a molecular weight of 351.45 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 170995438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).