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

C19H24N2O2 — CID 86845360

IUPAC1-(4-prop-2-enoxyphenyl)-N-[(2-propoxy-3-pyridinyl)methyl]methanamine
SMILESC=CCOc1ccc(CNCc2cccnc2OCCC)cc1
InChIInChI=1S/C19H24N2O2/c1-3-12-22-18-9-7-16(8-10-18)14-20-15-17-6-5-11-21-19(17)23-13-4-2/h3,5-11,20H,1,4,12-15H2,2H3
InChIKeyAKZLENFSHSHJMX-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.72
Rot. Bonds10

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

1-(4-prop-2-enoxyphenyl)-N-[(2-propoxy-3-pyridinyl)methyl]methanamine (PubChem CID 86845360) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(4-prop-2-enoxyphenyl)-N-[(2-propoxy-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-prop-2-enoxyphenyl)-N-[(2-propoxy-3-pyridinyl)methyl]methanamine
PubChem CID86845360
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(4-prop-2-enoxyphenyl)-N-[(2-propoxy-3-pyridinyl)methyl]methanamine
SMILESC=CCOc1ccc(CNCc2cccnc2OCCC)cc1
InChIInChI=1S/C19H24N2O2/c1-3-12-22-18-9-7-16(8-10-18)14-20-15-17-6-5-11-21-19(17)23-13-4-2/h3,5-11,20H,1,4,12-15H2,2H3
InChIKeyAKZLENFSHSHJMX-UHFFFAOYSA-N
XLogP3.72
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.72
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

N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63685132
N-[(6-methoxy-3-pyridinyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
CID 28712766
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 61167785
N-[(4-prop-2-enoxyphenyl)methyl]hexadecan-1-amine
CID 54847664
1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine
CID 43220519
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
CID 115989461
3-[[(2-butoxy-3-pyridinyl)methylamino]methyl]benzoic acid
CID 122030752
1-(4-prop-2-enoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60960350
N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010
1-(4-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 54920418
N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291144
2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide
CID 28651449

Frequently Asked Questions

What is the IUPAC name of 1-(4-prop-2-enoxyphenyl)-N-[(2-propoxy-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(4-prop-2-enoxyphenyl)-N-[(2-propoxy-3-pyridinyl)methyl]methanamine (CID 86845360) is 1-(4-prop-2-enoxyphenyl)-N-[(2-propoxy-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(4-prop-2-enoxyphenyl)-N-[(2-propoxy-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(4-prop-2-enoxyphenyl)-N-[(2-propoxy-3-pyridinyl)methyl]methanamine is C=CCOc1ccc(CNCc2cccnc2OCCC)cc1.
What is the InChIKey of 1-(4-prop-2-enoxyphenyl)-N-[(2-propoxy-3-pyridinyl)methyl]methanamine?
The InChIKey is AKZLENFSHSHJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-12-22-18-9-7-16(8-10-18)14-20-15-17-6-5-11-21-19(17)23-13-4-2/h3,5-11,20H,1,4,12-15H2,2H3.
What are the key properties of 1-(4-prop-2-enoxyphenyl)-N-[(2-propoxy-3-pyridinyl)methyl]methanamine?
1-(4-prop-2-enoxyphenyl)-N-[(2-propoxy-3-pyridinyl)methyl]methanamine has a molecular weight of 312.41 g/mol, XLogP of 3.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-prop-2-enoxyphenyl)-N-[(2-propoxy-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 86845360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).