3-(diethylamino)-1,1-bis(3-fluorophenyl)-2-methylpropan-1-ol;hydrobromide

C20H26BrF2NO — CID 3060488

IUPAC3-(diethylamino)-1,1-bis(3-fluorophenyl)-2-methylpropan-1-ol;hydrobromide
SMILESBr.CCN(CC)CC(C)C(O)(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C20H25F2NO.BrH/c1-4-23(5-2)14-15(3)20(24,16-8-6-10-18(21)12-16)17-9-7-11-19(22)13-17;/h6-13,15,24H,4-5,14H2,1-3H3;1H
InChIKeyGTIQVZQLHDCGOH-UHFFFAOYSA-N
MW414.33 g/mol
LogP4.76
Rot. Bonds7

About 3-(diethylamino)-1,1-bis(3-fluorophenyl)-2-methylpropan-1-ol;hydrobromide

3-(diethylamino)-1,1-bis(3-fluorophenyl)-2-methylpropan-1-ol;hydrobromide (PubChem CID 3060488) has the molecular formula C20H26BrF2NO and a molecular weight of 414.33 g/mol. Its IUPAC name is 3-(diethylamino)-1,1-bis(3-fluorophenyl)-2-methylpropan-1-ol;hydrobromide.

Molecular Properties

Compound Name3-(diethylamino)-1,1-bis(3-fluorophenyl)-2-methylpropan-1-ol;hydrobromide
PubChem CID3060488
Molecular FormulaC20H26BrF2NO
Molecular Weight414.33 g/mol
Exact Mass413.12
IUPAC Name3-(diethylamino)-1,1-bis(3-fluorophenyl)-2-methylpropan-1-ol;hydrobromide
SMILESBr.CCN(CC)CC(C)C(O)(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C20H25F2NO.BrH/c1-4-23(5-2)14-15(3)20(24,16-8-6-10-18(21)12-16)17-9-7-11-19(22)13-17;/h6-13,15,24H,4-5,14H2,1-3H3;1H
InChIKeyGTIQVZQLHDCGOH-UHFFFAOYSA-N
XLogP4.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1,1-bis(3-fluorophenyl)-2-methylpropan-1-ol;hydrobromide?
The IUPAC name of 3-(diethylamino)-1,1-bis(3-fluorophenyl)-2-methylpropan-1-ol;hydrobromide (CID 3060488) is 3-(diethylamino)-1,1-bis(3-fluorophenyl)-2-methylpropan-1-ol;hydrobromide.
What is the SMILES notation for 3-(diethylamino)-1,1-bis(3-fluorophenyl)-2-methylpropan-1-ol;hydrobromide?
The canonical SMILES for 3-(diethylamino)-1,1-bis(3-fluorophenyl)-2-methylpropan-1-ol;hydrobromide is Br.CCN(CC)CC(C)C(O)(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 3-(diethylamino)-1,1-bis(3-fluorophenyl)-2-methylpropan-1-ol;hydrobromide?
The InChIKey is GTIQVZQLHDCGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2NO.BrH/c1-4-23(5-2)14-15(3)20(24,16-8-6-10-18(21)12-16)17-9-7-11-19(22)13-17;/h6-13,15,24H,4-5,14H2,1-3H3;1H.
What are the key properties of 3-(diethylamino)-1,1-bis(3-fluorophenyl)-2-methylpropan-1-ol;hydrobromide?
3-(diethylamino)-1,1-bis(3-fluorophenyl)-2-methylpropan-1-ol;hydrobromide has a molecular weight of 414.33 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1,1-bis(3-fluorophenyl)-2-methylpropan-1-ol;hydrobromide is sourced from PubChem (CID 3060488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).