3-(dimethylamino)-1,1-bis(4-fluorophenyl)propan-2-ol

C17H19F2NO — CID 12549105

IUPAC3-(dimethylamino)-1,1-bis(4-fluorophenyl)propan-2-ol
SMILESCN(C)CC(O)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H19F2NO/c1-20(2)11-16(21)17(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,16-17,21H,11H2,1-2H3
InChIKeyISQXYMQKEODMIZ-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.02
Rot. Bonds5

About 3-(dimethylamino)-1,1-bis(4-fluorophenyl)propan-2-ol

3-(dimethylamino)-1,1-bis(4-fluorophenyl)propan-2-ol (PubChem CID 12549105) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 3-(dimethylamino)-1,1-bis(4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1,1-bis(4-fluorophenyl)propan-2-ol
PubChem CID12549105
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name3-(dimethylamino)-1,1-bis(4-fluorophenyl)propan-2-ol
SMILESCN(C)CC(O)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H19F2NO/c1-20(2)11-16(21)17(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,16-17,21H,11H2,1-2H3
InChIKeyISQXYMQKEODMIZ-UHFFFAOYSA-N
XLogP3.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Alphamethadol
CID 62709
3-Heptanol, 6-(dimethylamino)-4,4-diphenyl-
CID 28397
Betamethadol
CID 10064061
Alphamethadol hydrochloride, (-)-
CID 3041255
[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-phenylmethanol
CID 44363475
Piperidinium, 1-(3-hydroxy-5-methyl-4-phenylhexyl)-1-methyl-, bromide (1:1)
CID 10619
Alphamethadol hydrochloride, (+)-
CID 206311
Levomethadyl
CID 3041256
6-[Methyl(prop-2-enyl)amino]-4,4-diphenylheptan-3-ol
CID 44382932
(4-Fluoro-phenyl)-(1-phenethyl-piperidin-4-yl)-methanol
CID 10245066
1-(2-(Dimethylamino)-1-(3-(trifluoromethyl)phenyl)ethyl)cyclohexanol
CID 10403428
1-(3-Bromophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride
CID 12549086

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1,1-bis(4-fluorophenyl)propan-2-ol?
The IUPAC name of 3-(dimethylamino)-1,1-bis(4-fluorophenyl)propan-2-ol (CID 12549105) is 3-(dimethylamino)-1,1-bis(4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 3-(dimethylamino)-1,1-bis(4-fluorophenyl)propan-2-ol?
The canonical SMILES for 3-(dimethylamino)-1,1-bis(4-fluorophenyl)propan-2-ol is CN(C)CC(O)C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 3-(dimethylamino)-1,1-bis(4-fluorophenyl)propan-2-ol?
The InChIKey is ISQXYMQKEODMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-20(2)11-16(21)17(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,16-17,21H,11H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1,1-bis(4-fluorophenyl)propan-2-ol?
3-(dimethylamino)-1,1-bis(4-fluorophenyl)propan-2-ol has a molecular weight of 291.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1,1-bis(4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 12549105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).