4-(dimethylamino)-1,1-diphenylbutan-1-ol

C18H23NO — CID 845175

IUPAC4-(dimethylamino)-1,1-diphenylbutan-1-ol
SMILESCN(C)CCCC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-19(2)15-9-14-18(20,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,20H,9,14-15H2,1-2H3
InChIKeyWSCHDJUSBOEJSL-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.26
Rot. Bonds6

About 4-(dimethylamino)-1,1-diphenylbutan-1-ol

4-(dimethylamino)-1,1-diphenylbutan-1-ol (PubChem CID 845175) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(dimethylamino)-1,1-diphenylbutan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-1,1-diphenylbutan-1-ol
PubChem CID845175
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-(dimethylamino)-1,1-diphenylbutan-1-ol
SMILESCN(C)CCCC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-19(2)15-9-14-18(20,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,20H,9,14-15H2,1-2H3
InChIKeyWSCHDJUSBOEJSL-UHFFFAOYSA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1,1-diphenylbutan-1-ol?
The IUPAC name of 4-(dimethylamino)-1,1-diphenylbutan-1-ol (CID 845175) is 4-(dimethylamino)-1,1-diphenylbutan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-1,1-diphenylbutan-1-ol?
The canonical SMILES for 4-(dimethylamino)-1,1-diphenylbutan-1-ol is CN(C)CCCC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(dimethylamino)-1,1-diphenylbutan-1-ol?
The InChIKey is WSCHDJUSBOEJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-19(2)15-9-14-18(20,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,20H,9,14-15H2,1-2H3.
What are the key properties of 4-(dimethylamino)-1,1-diphenylbutan-1-ol?
4-(dimethylamino)-1,1-diphenylbutan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1,1-diphenylbutan-1-ol is sourced from PubChem (CID 845175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).