1-(benzylamino)-3-phenoxypropan-2-ol

C16H19NO2 — CID 6610787

IUPAC1-(benzylamino)-3-phenoxypropan-2-ol
SMILESOC(CNCc1ccccc1)COc1ccccc1
InChIInChI=1S/C16H19NO2/c18-15(13-19-16-9-5-2-6-10-16)12-17-11-14-7-3-1-4-8-14/h1-10,15,17-18H,11-13H2
InChIKeySQKDNRNNDKUKAB-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.22
Rot. Bonds7

About 1-(benzylamino)-3-phenoxypropan-2-ol

1-(benzylamino)-3-phenoxypropan-2-ol (PubChem CID 6610787) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(benzylamino)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(benzylamino)-3-phenoxypropan-2-ol
PubChem CID6610787
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-(benzylamino)-3-phenoxypropan-2-ol
SMILESOC(CNCc1ccccc1)COc1ccccc1
InChIInChI=1S/C16H19NO2/c18-15(13-19-16-9-5-2-6-10-16)12-17-11-14-7-3-1-4-8-14/h1-10,15,17-18H,11-13H2
InChIKeySQKDNRNNDKUKAB-UHFFFAOYSA-N
XLogP2.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(benzylamino)-3-phenoxypropan-2-ol (CID 6610787) is 1-(benzylamino)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(benzylamino)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(benzylamino)-3-phenoxypropan-2-ol is OC(CNCc1ccccc1)COc1ccccc1.
What is the InChIKey of 1-(benzylamino)-3-phenoxypropan-2-ol?
The InChIKey is SQKDNRNNDKUKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-15(13-19-16-9-5-2-6-10-16)12-17-11-14-7-3-1-4-8-14/h1-10,15,17-18H,11-13H2.
What are the key properties of 1-(benzylamino)-3-phenoxypropan-2-ol?
1-(benzylamino)-3-phenoxypropan-2-ol has a molecular weight of 257.33 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-3-phenoxypropan-2-ol is sourced from PubChem (CID 6610787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).