1-(dibenzylamino)propan-2-ol

C17H21NO — CID 3051472

IUPAC1-(dibenzylamino)propan-2-ol
SMILESCC(O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H21NO/c1-15(19)12-18(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17/h2-11,15,19H,12-14H2,1H3
InChIKeyWXEYIBICXWVANI-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.07
Rot. Bonds6

About 1-(dibenzylamino)propan-2-ol

1-(dibenzylamino)propan-2-ol (PubChem CID 3051472) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(dibenzylamino)propan-2-ol.

Molecular Properties

Compound Name1-(dibenzylamino)propan-2-ol
PubChem CID3051472
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(dibenzylamino)propan-2-ol
SMILESCC(O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H21NO/c1-15(19)12-18(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17/h2-11,15,19H,12-14H2,1H3
InChIKeyWXEYIBICXWVANI-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 1-(dibenzylamino)propan-2-ol?
The IUPAC name of 1-(dibenzylamino)propan-2-ol (CID 3051472) is 1-(dibenzylamino)propan-2-ol.
What is the SMILES notation for 1-(dibenzylamino)propan-2-ol?
The canonical SMILES for 1-(dibenzylamino)propan-2-ol is CC(O)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-(dibenzylamino)propan-2-ol?
The InChIKey is WXEYIBICXWVANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-15(19)12-18(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17/h2-11,15,19H,12-14H2,1H3.
What are the key properties of 1-(dibenzylamino)propan-2-ol?
1-(dibenzylamino)propan-2-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 1-(dibenzylamino)propan-2-ol is sourced from PubChem (CID 3051472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).