N-[(6-methoxy-3-pyridinyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine

C17H20N2O2 — CID 28712766

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
SMILESC=CCOc1ccc(CNCc2ccc(OC)nc2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-10-21-16-7-4-14(5-8-16)11-18-12-15-6-9-17(20-2)19-13-15/h3-9,13,18H,1,10-12H2,2H3
InChIKeyJZFZHHDPQUVNOI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.94
Rot. Bonds8

About N-[(6-methoxy-3-pyridinyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine

N-[(6-methoxy-3-pyridinyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine (PubChem CID 28712766) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
PubChem CID28712766
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
SMILESC=CCOc1ccc(CNCc2ccc(OC)nc2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-10-21-16-7-4-14(5-8-16)11-18-12-15-6-9-17(20-2)19-13-15/h3-9,13,18H,1,10-12H2,2H3
InChIKeyJZFZHHDPQUVNOI-UHFFFAOYSA-N
XLogP2.94
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 61167785
N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185
N-methoxy-1-(4-prop-2-enoxyphenyl)methanamine
CID 82706596
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 62390689
1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60960350
(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 105014317
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine
CID 114936716
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
1-(4-prop-2-enoxyphenyl)-N-[(2-propoxy-3-pyridinyl)methyl]methanamine
CID 86845360

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine (CID 28712766) is N-[(6-methoxy-3-pyridinyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine is C=CCOc1ccc(CNCc2ccc(OC)nc2)cc1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine?
The InChIKey is JZFZHHDPQUVNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-10-21-16-7-4-14(5-8-16)11-18-12-15-6-9-17(20-2)19-13-15/h3-9,13,18H,1,10-12H2,2H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine?
N-[(6-methoxy-3-pyridinyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine has a molecular weight of 284.36 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine is sourced from PubChem (CID 28712766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).