1-(dipropylamino)-3-naphthalen-1-yloxypropan-2-ol

C19H27NO2 — CID 2914436

IUPAC1-(dipropylamino)-3-naphthalen-1-yloxypropan-2-ol
SMILESCCCN(CCC)CC(O)COc1cccc2ccccc12
InChIInChI=1S/C19H27NO2/c1-3-12-20(13-4-2)14-17(21)15-22-19-11-7-9-16-8-5-6-10-18(16)19/h5-11,17,21H,3-4,12-15H2,1-2H3
InChIKeyFHKKLVGOJFXBCC-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.70
Rot. Bonds9

About 1-(dipropylamino)-3-naphthalen-1-yloxypropan-2-ol

1-(dipropylamino)-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 2914436) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-(dipropylamino)-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(dipropylamino)-3-naphthalen-1-yloxypropan-2-ol
PubChem CID2914436
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name1-(dipropylamino)-3-naphthalen-1-yloxypropan-2-ol
SMILESCCCN(CCC)CC(O)COc1cccc2ccccc12
InChIInChI=1S/C19H27NO2/c1-3-12-20(13-4-2)14-17(21)15-22-19-11-7-9-16-8-5-6-10-18(16)19/h5-11,17,21H,3-4,12-15H2,1-2H3
InChIKeyFHKKLVGOJFXBCC-UHFFFAOYSA-N
XLogP3.70
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dipropylamino)-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of 1-(dipropylamino)-3-naphthalen-1-yloxypropan-2-ol (CID 2914436) is 1-(dipropylamino)-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for 1-(dipropylamino)-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for 1-(dipropylamino)-3-naphthalen-1-yloxypropan-2-ol is CCCN(CCC)CC(O)COc1cccc2ccccc12.
What is the InChIKey of 1-(dipropylamino)-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is FHKKLVGOJFXBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-3-12-20(13-4-2)14-17(21)15-22-19-11-7-9-16-8-5-6-10-18(16)19/h5-11,17,21H,3-4,12-15H2,1-2H3.
What are the key properties of 1-(dipropylamino)-3-naphthalen-1-yloxypropan-2-ol?
1-(dipropylamino)-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 301.43 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dipropylamino)-3-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 2914436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).