N-[[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine

C18H22N2O — CID 76938428

IUPACN-[[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC=Cc1ccccc1Oc1ccc(CNC(C)C)cn1
InChIInChI=1S/C18H22N2O/c1-4-7-16-8-5-6-9-17(16)21-18-11-10-15(13-20-18)12-19-14(2)3/h4-11,13-14,19H,12H2,1-3H3
InChIKeyQSUWDBIZTMDSEA-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.41
Rot. Bonds6

About N-[[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine

N-[[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 76938428) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID76938428
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC=Cc1ccccc1Oc1ccc(CNC(C)C)cn1
InChIInChI=1S/C18H22N2O/c1-4-7-16-8-5-6-9-17(16)21-18-11-10-15(13-20-18)12-19-14(2)3/h4-11,13-14,19H,12H2,1-3H3
InChIKeyQSUWDBIZTMDSEA-UHFFFAOYSA-N
XLogP4.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methanamine
CID 76938461
N-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62321526
N-[[2-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 76938464
N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296185
N-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943546
N-[[5-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557957
N-[[6-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62323095
N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295710
4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 80637430
N-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62298309
N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289960
N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62322221

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine (CID 76938428) is N-[[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine is CC=Cc1ccccc1Oc1ccc(CNC(C)C)cn1.
What is the InChIKey of N-[[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is QSUWDBIZTMDSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-7-16-8-5-6-9-17(16)21-18-11-10-15(13-20-18)12-19-14(2)3/h4-11,13-14,19H,12H2,1-3H3.
What are the key properties of N-[[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 282.39 g/mol, XLogP of 4.41, 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)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 76938428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).