2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride

C16H24ClN3O — CID 126966945

IUPAC2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride
SMILESCCCn1nccc1CNCCc1cccc(OC)c1.Cl
InChIInChI=1S/C16H23N3O.ClH/c1-3-11-19-15(8-10-18-19)13-17-9-7-14-5-4-6-16(12-14)20-2;/h4-6,8,10,12,17H,3,7,9,11,13H2,1-2H3;1H
InChIKeyJVGOBKAJBKVYBR-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.06
Rot. Bonds8

About 2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride

2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride (PubChem CID 126966945) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride
PubChem CID126966945
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride
SMILESCCCn1nccc1CNCCc1cccc(OC)c1.Cl
InChIInChI=1S/C16H23N3O.ClH/c1-3-11-19-15(8-10-18-19)13-17-9-7-14-5-4-6-16(12-14)20-2;/h4-6,8,10,12,17H,3,7,9,11,13H2,1-2H3;1H
InChIKeyJVGOBKAJBKVYBR-UHFFFAOYSA-N
XLogP3.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.06
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-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 25248276
1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965504
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine
CID 114130077
N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine
CID 113410220
1-methoxy-3-propylbenzene
CID 14270128
4-methoxy-2-methyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555748
2-(3-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 103698589
1-(2-methoxy-4-pyridinyl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 114555758
2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 104694287
N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine;hydrochloride
CID 126966531
N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 107850248

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride (CID 126966945) is 2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride is CCCn1nccc1CNCCc1cccc(OC)c1.Cl.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride?
The InChIKey is JVGOBKAJBKVYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.ClH/c1-3-11-19-15(8-10-18-19)13-17-9-7-14-5-4-6-16(12-14)20-2;/h4-6,8,10,12,17H,3,7,9,11,13H2,1-2H3;1H.
What are the key properties of 2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride?
2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride has a molecular weight of 309.84 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 126966945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).