2-(dibenzylamino)propan-1-ol

C17H21NO — CID 563465

IUPAC2-(dibenzylamino)propan-1-ol
SMILESCC(CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H21NO/c1-15(14-19)18(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,15,19H,12-14H2,1H3
InChIKeyIEEFFKXJADVWJO-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.07
Rot. Bonds6

About 2-(dibenzylamino)propan-1-ol

2-(dibenzylamino)propan-1-ol (PubChem CID 563465) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(dibenzylamino)propan-1-ol.

Molecular Properties

Compound Name2-(dibenzylamino)propan-1-ol
PubChem CID563465
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-(dibenzylamino)propan-1-ol
SMILESCC(CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H21NO/c1-15(14-19)18(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,15,19H,12-14H2,1H3
InChIKeyIEEFFKXJADVWJO-UHFFFAOYSA-N
XLogP3.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)propan-1-ol?
The IUPAC name of 2-(dibenzylamino)propan-1-ol (CID 563465) is 2-(dibenzylamino)propan-1-ol.
What is the SMILES notation for 2-(dibenzylamino)propan-1-ol?
The canonical SMILES for 2-(dibenzylamino)propan-1-ol is CC(CO)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)propan-1-ol?
The InChIKey is IEEFFKXJADVWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-15(14-19)18(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,15,19H,12-14H2,1H3.
What are the key properties of 2-(dibenzylamino)propan-1-ol?
2-(dibenzylamino)propan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)propan-1-ol is sourced from PubChem (CID 563465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).