N-[[6-[(2-prop-2-enylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine

C18H22N2O — CID 106908299

IUPACN-[[6-[(2-prop-2-enylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
SMILESC=CCc1ccccc1OCc1cccc(CNCC)n1
InChIInChI=1S/C18H22N2O/c1-3-8-15-9-5-6-12-18(15)21-14-17-11-7-10-16(20-17)13-19-4-2/h3,5-7,9-12,19H,1,4,8,13-14H2,2H3
InChIKeyRTSLEPALSIQAQP-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.50
Rot. Bonds8

About N-[[6-[(2-prop-2-enylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine

N-[[6-[(2-prop-2-enylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine (PubChem CID 106908299) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[[6-[(2-prop-2-enylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[(2-prop-2-enylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
PubChem CID106908299
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[[6-[(2-prop-2-enylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
SMILESC=CCc1ccccc1OCc1cccc(CNCC)n1
InChIInChI=1S/C18H22N2O/c1-3-8-15-9-5-6-12-18(15)21-14-17-11-7-10-16(20-17)13-19-4-2/h3,5-7,9-12,19H,1,4,8,13-14H2,2H3
InChIKeyRTSLEPALSIQAQP-UHFFFAOYSA-N
XLogP3.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-[(2-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 107661247
N-[[5-methyl-4-[(2-prop-2-enylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 80721945
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
N-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine
CID 62523589
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908205
N-[(6-but-3-enoxy-2-pyridinyl)methyl]ethanamine
CID 62289501
N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907958
N-[[2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 63992362
1-bromo-2-[(2-prop-2-enylphenoxy)methyl]benzene
CID 91655599
1-[2-[(6-chloro-2-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 106484556

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2-prop-2-enylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-[(2-prop-2-enylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine (CID 106908299) is N-[[6-[(2-prop-2-enylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[(2-prop-2-enylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-[(2-prop-2-enylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine is C=CCc1ccccc1OCc1cccc(CNCC)n1.
What is the InChIKey of N-[[6-[(2-prop-2-enylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine?
The InChIKey is RTSLEPALSIQAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-8-15-9-5-6-12-18(15)21-14-17-11-7-10-16(20-17)13-19-4-2/h3,5-7,9-12,19H,1,4,8,13-14H2,2H3.
What are the key properties of N-[[6-[(2-prop-2-enylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine?
N-[[6-[(2-prop-2-enylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine has a molecular weight of 282.39 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2-prop-2-enylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106908299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).