3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride

C18H21ClF3NO — CID 12549088

IUPAC3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
SMILESCN(C)CC(O)C(c1ccccc1)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C18H20F3NO.ClH/c1-22(2)12-16(23)17(13-7-4-3-5-8-13)14-9-6-10-15(11-14)18(19,20)21;/h3-11,16-17,23H,12H2,1-2H3;1H
InChIKeyRVFGWEJCRHHLTL-UHFFFAOYSA-N
MW359.82 g/mol
LogP4.18
Rot. Bonds5

About 3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride

3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride (PubChem CID 12549088) has the molecular formula C18H21ClF3NO and a molecular weight of 359.82 g/mol. Its IUPAC name is 3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
PubChem CID12549088
Molecular FormulaC18H21ClF3NO
Molecular Weight359.82 g/mol
Exact Mass359.13
IUPAC Name3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
SMILESCN(C)CC(O)C(c1ccccc1)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C18H20F3NO.ClH/c1-22(2)12-16(23)17(13-7-4-3-5-8-13)14-9-6-10-15(11-14)18(19,20)21;/h3-11,16-17,23H,12H2,1-2H3;1H
InChIKeyRVFGWEJCRHHLTL-UHFFFAOYSA-N
XLogP4.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 413621
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3-Methyl-6-dimethylamino-1,2-diphenylhexan-3-ol hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
The IUPAC name of 3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride (CID 12549088) is 3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
The canonical SMILES for 3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride is CN(C)CC(O)C(c1ccccc1)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of 3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
The InChIKey is RVFGWEJCRHHLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO.ClH/c1-22(2)12-16(23)17(13-7-4-3-5-8-13)14-9-6-10-15(11-14)18(19,20)21;/h3-11,16-17,23H,12H2,1-2H3;1H.
What are the key properties of 3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride has a molecular weight of 359.82 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride is sourced from PubChem (CID 12549088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).