3-(dibenzylamino)-1-phenylbutan-1-ol

C24H27NO — CID 614178

IUPAC3-(dibenzylamino)-1-phenylbutan-1-ol
SMILESCC(CC(O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H27NO/c1-20(17-24(26)23-15-9-4-10-16-23)25(18-21-11-5-2-6-12-21)19-22-13-7-3-8-14-22/h2-16,20,24,26H,17-19H2,1H3
InChIKeyYFZYPNFLNGVWKM-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.20
Rot. Bonds8

About 3-(dibenzylamino)-1-phenylbutan-1-ol

3-(dibenzylamino)-1-phenylbutan-1-ol (PubChem CID 614178) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-(dibenzylamino)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name3-(dibenzylamino)-1-phenylbutan-1-ol
PubChem CID614178
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name3-(dibenzylamino)-1-phenylbutan-1-ol
SMILESCC(CC(O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H27NO/c1-20(17-24(26)23-15-9-4-10-16-23)25(18-21-11-5-2-6-12-21)19-22-13-7-3-8-14-22/h2-16,20,24,26H,17-19H2,1H3
InChIKeyYFZYPNFLNGVWKM-UHFFFAOYSA-N
XLogP5.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dibenzylamino)-1-phenylbutan-1-ol?
The IUPAC name of 3-(dibenzylamino)-1-phenylbutan-1-ol (CID 614178) is 3-(dibenzylamino)-1-phenylbutan-1-ol.
What is the SMILES notation for 3-(dibenzylamino)-1-phenylbutan-1-ol?
The canonical SMILES for 3-(dibenzylamino)-1-phenylbutan-1-ol is CC(CC(O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-(dibenzylamino)-1-phenylbutan-1-ol?
The InChIKey is YFZYPNFLNGVWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-20(17-24(26)23-15-9-4-10-16-23)25(18-21-11-5-2-6-12-21)19-22-13-7-3-8-14-22/h2-16,20,24,26H,17-19H2,1H3.
What are the key properties of 3-(dibenzylamino)-1-phenylbutan-1-ol?
3-(dibenzylamino)-1-phenylbutan-1-ol has a molecular weight of 345.49 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibenzylamino)-1-phenylbutan-1-ol is sourced from PubChem (CID 614178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).