1-(4-prop-2-enoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride

C16H19ClN2O — CID 2960264

IUPAC1-(4-prop-2-enoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
SMILESC=CCOc1ccc(CNCc2cccnc2)cc1.Cl
InChIInChI=1S/C16H18N2O.ClH/c1-2-10-19-16-7-5-14(6-8-16)11-18-13-15-4-3-9-17-12-15;/h2-9,12,18H,1,10-11,13H2;1H
InChIKeySQBBCZUJCBPHHQ-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.36
Rot. Bonds7

About 1-(4-prop-2-enoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride

1-(4-prop-2-enoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride (PubChem CID 2960264) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(4-prop-2-enoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-prop-2-enoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
PubChem CID2960264
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-(4-prop-2-enoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
SMILESC=CCOc1ccc(CNCc2cccnc2)cc1.Cl
InChIInChI=1S/C16H18N2O.ClH/c1-2-10-19-16-7-5-14(6-8-16)11-18-13-15-4-3-9-17-12-15;/h2-9,12,18H,1,10-11,13H2;1H
InChIKeySQBBCZUJCBPHHQ-UHFFFAOYSA-N
XLogP3.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-prop-2-enoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-prop-2-enoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-(4-prop-2-enoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride (CID 2960264) is 1-(4-prop-2-enoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-(4-prop-2-enoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-(4-prop-2-enoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride is C=CCOc1ccc(CNCc2cccnc2)cc1.Cl.
What is the InChIKey of 1-(4-prop-2-enoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride?
The InChIKey is SQBBCZUJCBPHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.ClH/c1-2-10-19-16-7-5-14(6-8-16)11-18-13-15-4-3-9-17-12-15;/h2-9,12,18H,1,10-11,13H2;1H.
What are the key properties of 1-(4-prop-2-enoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride?
1-(4-prop-2-enoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride has a molecular weight of 290.79 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-prop-2-enoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 2960264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).