1-(dibenzylamino)propan-2-ol;hydrochloride

C17H22ClNO — CID 3051471

IUPAC1-(dibenzylamino)propan-2-ol;hydrochloride
SMILESCC(O)CN(Cc1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C17H21NO.ClH/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;1H
InChIKeyHPKLLTIDTBCJJG-UHFFFAOYSA-N
MW291.82 g/mol
LogP3.49
Rot. Bonds6

About 1-(dibenzylamino)propan-2-ol;hydrochloride

1-(dibenzylamino)propan-2-ol;hydrochloride (PubChem CID 3051471) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 1-(dibenzylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(dibenzylamino)propan-2-ol;hydrochloride
PubChem CID3051471
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name1-(dibenzylamino)propan-2-ol;hydrochloride
SMILESCC(O)CN(Cc1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C17H21NO.ClH/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;1H
InChIKeyHPKLLTIDTBCJJG-UHFFFAOYSA-N
XLogP3.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 53.49
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;hydrochloride?
The IUPAC name of 1-(dibenzylamino)propan-2-ol;hydrochloride (CID 3051471) is 1-(dibenzylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(dibenzylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(dibenzylamino)propan-2-ol;hydrochloride is CC(O)CN(Cc1ccccc1)Cc1ccccc1.Cl.
What is the InChIKey of 1-(dibenzylamino)propan-2-ol;hydrochloride?
The InChIKey is HPKLLTIDTBCJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.ClH/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;1H.
What are the key properties of 1-(dibenzylamino)propan-2-ol;hydrochloride?
1-(dibenzylamino)propan-2-ol;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 3.49, 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;hydrochloride is sourced from PubChem (CID 3051471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).