(2S)-2-(dibenzylamino)-3-methylbutan-1-ol

C19H25NO — CID 10517107

IUPAC(2S)-2-(dibenzylamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H25NO/c1-16(2)19(15-21)20(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12,16,19,21H,13-15H2,1-2H3/t19-/m1/s1
InChIKeyZWLAXLXECFRUPM-LJQANCHMSA-N
MW283.42 g/mol
LogP3.71
Rot. Bonds7

About (2S)-2-(dibenzylamino)-3-methylbutan-1-ol

(2S)-2-(dibenzylamino)-3-methylbutan-1-ol (PubChem CID 10517107) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S)-2-(dibenzylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(dibenzylamino)-3-methylbutan-1-ol
PubChem CID10517107
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(2S)-2-(dibenzylamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H25NO/c1-16(2)19(15-21)20(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12,16,19,21H,13-15H2,1-2H3/t19-/m1/s1
InChIKeyZWLAXLXECFRUPM-LJQANCHMSA-N
XLogP3.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dibenzylamino)-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-(dibenzylamino)-3-methylbutan-1-ol (CID 10517107) is (2S)-2-(dibenzylamino)-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-(dibenzylamino)-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-(dibenzylamino)-3-methylbutan-1-ol is CC(C)[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2-(dibenzylamino)-3-methylbutan-1-ol?
The InChIKey is ZWLAXLXECFRUPM-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25NO/c1-16(2)19(15-21)20(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12,16,19,21H,13-15H2,1-2H3/t19-/m1/s1.
What are the key properties of (2S)-2-(dibenzylamino)-3-methylbutan-1-ol?
(2S)-2-(dibenzylamino)-3-methylbutan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dibenzylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 10517107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).