2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine

C17H25N3O — CID 62725650

IUPAC2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCOCCNCC(Cc1ccccc1)Cc1cnn(C)c1
InChIInChI=1S/C17H25N3O/c1-20-14-17(13-19-20)11-16(12-18-8-9-21-2)10-15-6-4-3-5-7-15/h3-7,13-14,16,18H,8-12H2,1-2H3
InChIKeyZNFFXCDCCYJLRP-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.06
Rot. Bonds9

About 2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine

2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 62725650) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID62725650
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCOCCNCC(Cc1ccccc1)Cc1cnn(C)c1
InChIInChI=1S/C17H25N3O/c1-20-14-17(13-19-20)11-16(12-18-8-9-21-2)10-15-6-4-3-5-7-15/h3-7,13-14,16,18H,8-12H2,1-2H3
InChIKeyZNFFXCDCCYJLRP-UHFFFAOYSA-N
XLogP2.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 103014292
2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 62725640
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine
CID 62725841
2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966602
2-benzyl-N-(2-methoxyethyl)hexan-1-amine
CID 62725458
2-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 62718173
2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014288
2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62515952
2-benzyl-4-(1-methylpyrazol-4-yl)-N-propan-2-ylbutan-1-amine
CID 103014294
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)oxypropan-1-amine
CID 116793712
N-methyl-2-[(2-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62515440

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 62725650) is 2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is COCCNCC(Cc1ccccc1)Cc1cnn(C)c1.
What is the InChIKey of 2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is ZNFFXCDCCYJLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-20-14-17(13-19-20)11-16(12-18-8-9-21-2)10-15-6-4-3-5-7-15/h3-7,13-14,16,18H,8-12H2,1-2H3.
What are the key properties of 2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 62725650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).