2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-propylpropan-1-amine

C17H24ClNO2 — CID 102649408

IUPAC2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-propylpropan-1-amine
SMILESCCCNC(C1=CCCCO1)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C17H24ClNO2/c1-3-10-19-17(16-9-4-5-11-20-16)13(2)21-15-8-6-7-14(18)12-15/h6-9,12-13,17,19H,3-5,10-11H2,1-2H3
InChIKeyFOIZYKPZBFNDFS-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.17
Rot. Bonds7

About 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-propylpropan-1-amine

2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-propylpropan-1-amine (PubChem CID 102649408) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-propylpropan-1-amine
PubChem CID102649408
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-propylpropan-1-amine
SMILESCCCNC(C1=CCCCO1)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C17H24ClNO2/c1-3-10-19-17(16-9-4-5-11-20-16)13(2)21-15-8-6-7-14(18)12-15/h6-9,12-13,17,19H,3-5,10-11H2,1-2H3
InChIKeyFOIZYKPZBFNDFS-UHFFFAOYSA-N
XLogP4.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 102648801
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol
CID 102649827
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine
CID 102647801
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine
CID 102647447
2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine
CID 105176676
2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine
CID 105162926
N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine
CID 102647362
2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine
CID 105080697
N-[3,4-dihydro-2H-pyran-6-yl-(3-fluorophenyl)methyl]propan-1-amine
CID 102647099
N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 102649130
2-(3-chlorophenoxy)-N-propyloct-7-yn-3-amine
CID 105179486
2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-propylpropan-1-amine (CID 102649408) is 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-propylpropan-1-amine is CCCNC(C1=CCCCO1)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-propylpropan-1-amine?
The InChIKey is FOIZYKPZBFNDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-3-10-19-17(16-9-4-5-11-20-16)13(2)21-15-8-6-7-14(18)12-15/h6-9,12-13,17,19H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-propylpropan-1-amine?
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-propylpropan-1-amine has a molecular weight of 309.84 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 102649408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).