N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine

C18H22N2O — CID 46998544

IUPACN-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESC=CCOc1ccccc1CN(CC)Cc1ccncc1
InChIInChI=1S/C18H22N2O/c1-3-13-21-18-8-6-5-7-17(18)15-20(4-2)14-16-9-11-19-12-10-16/h3,5-12H,1,4,13-15H2,2H3
InChIKeyXWOFTRVYURJENW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.67
Rot. Bonds8

About N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine

N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 46998544) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID46998544
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESC=CCOc1ccccc1CN(CC)Cc1ccncc1
InChIInChI=1S/C18H22N2O/c1-3-13-21-18-8-6-5-7-17(18)15-20(4-2)14-16-9-11-19-12-10-16/h3,5-12H,1,4,13-15H2,2H3
InChIKeyXWOFTRVYURJENW-UHFFFAOYSA-N
XLogP3.67
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 46961765
N-benzyl-N-[(2-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 2245013
N-ethyl-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine
CID 62471061
N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid
CID 163327128
N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide
CID 46999749
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 75430689
N-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 23822564
2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 1360347
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 61450760
N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 112796331

Frequently Asked Questions

What is the IUPAC name of N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine (CID 46998544) is N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine is C=CCOc1ccccc1CN(CC)Cc1ccncc1.
What is the InChIKey of N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is XWOFTRVYURJENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-13-21-18-8-6-5-7-17(18)15-20(4-2)14-16-9-11-19-12-10-16/h3,5-12H,1,4,13-15H2,2H3.
What are the key properties of N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine?
N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 282.39 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 46998544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).