1-(dibenzylamino)-3-(2-ethylhexoxy)propan-2-ol

C25H37NO2 — CID 155765665

IUPAC1-(dibenzylamino)-3-(2-ethylhexoxy)propan-2-ol
SMILESCCCCC(CC)COCC(O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H37NO2/c1-3-5-12-22(4-2)20-28-21-25(27)19-26(17-23-13-8-6-9-14-23)18-24-15-10-7-11-16-24/h6-11,13-16,22,25,27H,3-5,12,17-21H2,1-2H3
InChIKeyALHBLRKLEOWQSK-UHFFFAOYSA-N
MW383.58 g/mol
LogP5.28
Rot. Bonds14

About 1-(dibenzylamino)-3-(2-ethylhexoxy)propan-2-ol

1-(dibenzylamino)-3-(2-ethylhexoxy)propan-2-ol (PubChem CID 155765665) has the molecular formula C25H37NO2 and a molecular weight of 383.58 g/mol. Its IUPAC name is 1-(dibenzylamino)-3-(2-ethylhexoxy)propan-2-ol.

Molecular Properties

Compound Name1-(dibenzylamino)-3-(2-ethylhexoxy)propan-2-ol
PubChem CID155765665
Molecular FormulaC25H37NO2
Molecular Weight383.58 g/mol
Exact Mass383.28
IUPAC Name1-(dibenzylamino)-3-(2-ethylhexoxy)propan-2-ol
SMILESCCCCC(CC)COCC(O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H37NO2/c1-3-5-12-22(4-2)20-28-21-25(27)19-26(17-23-13-8-6-9-14-23)18-24-15-10-7-11-16-24/h6-11,13-16,22,25,27H,3-5,12,17-21H2,1-2H3
InChIKeyALHBLRKLEOWQSK-UHFFFAOYSA-N
XLogP5.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dibenzylamino)-3-(2-ethylhexoxy)propan-2-ol?
The IUPAC name of 1-(dibenzylamino)-3-(2-ethylhexoxy)propan-2-ol (CID 155765665) is 1-(dibenzylamino)-3-(2-ethylhexoxy)propan-2-ol.
What is the SMILES notation for 1-(dibenzylamino)-3-(2-ethylhexoxy)propan-2-ol?
The canonical SMILES for 1-(dibenzylamino)-3-(2-ethylhexoxy)propan-2-ol is CCCCC(CC)COCC(O)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-(dibenzylamino)-3-(2-ethylhexoxy)propan-2-ol?
The InChIKey is ALHBLRKLEOWQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO2/c1-3-5-12-22(4-2)20-28-21-25(27)19-26(17-23-13-8-6-9-14-23)18-24-15-10-7-11-16-24/h6-11,13-16,22,25,27H,3-5,12,17-21H2,1-2H3.
What are the key properties of 1-(dibenzylamino)-3-(2-ethylhexoxy)propan-2-ol?
1-(dibenzylamino)-3-(2-ethylhexoxy)propan-2-ol has a molecular weight of 383.58 g/mol, XLogP of 5.28, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibenzylamino)-3-(2-ethylhexoxy)propan-2-ol is sourced from PubChem (CID 155765665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).