N-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine

C17H20N2O — CID 76938437

IUPACN-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine
SMILESCC=Cc1ccccc1Oc1cccc(CNCC)n1
InChIInChI=1S/C17H20N2O/c1-3-8-14-9-5-6-11-16(14)20-17-12-7-10-15(19-17)13-18-4-2/h3,5-12,18H,4,13H2,1-2H3
InChIKeyLAVXIXCOQLKUCR-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.02
Rot. Bonds6

About N-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine

N-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine (PubChem CID 76938437) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine
PubChem CID76938437
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine
SMILESCC=Cc1ccccc1Oc1cccc(CNCC)n1
InChIInChI=1S/C17H20N2O/c1-3-8-14-9-5-6-11-16(14)20-17-12-7-10-15(19-17)13-18-4-2/h3,5-12,18H,4,13H2,1-2H3
InChIKeyLAVXIXCOQLKUCR-UHFFFAOYSA-N
XLogP4.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(2-chlorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62295900
N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 63647535
N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine
CID 62290561
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine
CID 76943625
2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine
CID 76940175
N-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine
CID 80860701
N-[(6-but-3-enoxy-2-pyridinyl)methyl]ethanamine
CID 62289501
N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62323929
[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methanamine
CID 76938461
N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine
CID 66226819
6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
CID 80860267

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine (CID 76938437) is N-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine is CC=Cc1ccccc1Oc1cccc(CNCC)n1.
What is the InChIKey of N-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine?
The InChIKey is LAVXIXCOQLKUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-8-14-9-5-6-11-16(14)20-17-12-7-10-15(19-17)13-18-4-2/h3,5-12,18H,4,13H2,1-2H3.
What are the key properties of N-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine?
N-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine has a molecular weight of 268.36 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 76938437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).