N-[(3-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride

C16H20Cl2N2O — CID 163327937

IUPACN-[(3-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride
SMILESC=CCOc1cccc(CNCc2ccncc2)c1.Cl.Cl
InChIInChI=1S/C16H18N2O.2ClH/c1-2-10-19-16-5-3-4-15(11-16)13-18-12-14-6-8-17-9-7-14;;/h2-9,11,18H,1,10,12-13H2;2*1H
InChIKeySNYOYLOCDRUWFS-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.78
Rot. Bonds7

About N-[(3-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride

N-[(3-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride (PubChem CID 163327937) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.26 g/mol. Its IUPAC name is N-[(3-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride.

Molecular Properties

Compound NameN-[(3-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride
PubChem CID163327937
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.26 g/mol
Exact Mass326.10
IUPAC NameN-[(3-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride
SMILESC=CCOc1cccc(CNCc2ccncc2)c1.Cl.Cl
InChIInChI=1S/C16H18N2O.2ClH/c1-2-10-19-16-5-3-4-15(11-16)13-18-12-14-6-8-17-9-7-14;;/h2-9,11,18H,1,10,12-13H2;2*1H
InChIKeySNYOYLOCDRUWFS-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
N-[(3-prop-2-enoxyphenyl)methyl]prop-2-en-1-amine
CID 54849975
1-(3-prop-2-enoxyphenyl)-3-(pyridin-4-ylmethyl)thiourea
CID 100596497
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 2983913
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 6457782
1-prop-2-enoxy-3-prop-2-enylbenzene
CID 67362226
CID 59694590
CID 59694590
N-[[3-(2-phenoxyethoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797296
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
N-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine
CID 119113268
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
1-(3-butoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39369735

Frequently Asked Questions

What is the IUPAC name of N-[(3-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride?
The IUPAC name of N-[(3-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride (CID 163327937) is N-[(3-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride.
What is the SMILES notation for N-[(3-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride?
The canonical SMILES for N-[(3-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride is C=CCOc1cccc(CNCc2ccncc2)c1.Cl.Cl.
What is the InChIKey of N-[(3-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride?
The InChIKey is SNYOYLOCDRUWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.2ClH/c1-2-10-19-16-5-3-4-15(11-16)13-18-12-14-6-8-17-9-7-14;;/h2-9,11,18H,1,10,12-13H2;2*1H.
What are the key properties of N-[(3-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride?
N-[(3-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride has a molecular weight of 327.26 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride is sourced from PubChem (CID 163327937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).