(2R)-2-(dibenzylamino)butan-1-ol

C18H23NO — CID 57400222

IUPAC(2R)-2-(dibenzylamino)butan-1-ol
SMILESCC[C@H](CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23NO/c1-2-18(15-20)19(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,18,20H,2,13-15H2,1H3/t18-/m1/s1
InChIKeyRWDGCGHIPSWDTF-GOSISDBHSA-N
MW269.39 g/mol
LogP3.46
Rot. Bonds7

About (2R)-2-(dibenzylamino)butan-1-ol

(2R)-2-(dibenzylamino)butan-1-ol (PubChem CID 57400222) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (2R)-2-(dibenzylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(dibenzylamino)butan-1-ol
PubChem CID57400222
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(2R)-2-(dibenzylamino)butan-1-ol
SMILESCC[C@H](CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23NO/c1-2-18(15-20)19(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,18,20H,2,13-15H2,1H3/t18-/m1/s1
InChIKeyRWDGCGHIPSWDTF-GOSISDBHSA-N
XLogP3.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dibenzylamino)butan-1-ol?
The IUPAC name of (2R)-2-(dibenzylamino)butan-1-ol (CID 57400222) is (2R)-2-(dibenzylamino)butan-1-ol.
What is the SMILES notation for (2R)-2-(dibenzylamino)butan-1-ol?
The canonical SMILES for (2R)-2-(dibenzylamino)butan-1-ol is CC[C@H](CO)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R)-2-(dibenzylamino)butan-1-ol?
The InChIKey is RWDGCGHIPSWDTF-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-18(15-20)19(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,18,20H,2,13-15H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-2-(dibenzylamino)butan-1-ol?
(2R)-2-(dibenzylamino)butan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dibenzylamino)butan-1-ol is sourced from PubChem (CID 57400222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).