1-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol

C22H25ClF3NO2 — CID 86941437

IUPAC1-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)(CNCC1(c2ccccc2Cl)CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H25ClF3NO2/c1-20(28,16-5-4-6-17(13-16)22(24,25)26)14-27-15-21(9-11-29-12-10-21)18-7-2-3-8-19(18)23/h2-8,13,27-28H,9-12,14-15H2,1H3
InChIKeySRGSFUNRYYRIPB-UHFFFAOYSA-N
MW427.89 g/mol
LogP4.90
Rot. Bonds6

About 1-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol

1-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 86941437) has the molecular formula C22H25ClF3NO2 and a molecular weight of 427.89 g/mol. Its IUPAC name is 1-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID86941437
Molecular FormulaC22H25ClF3NO2
Molecular Weight427.89 g/mol
Exact Mass427.15
IUPAC Name1-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)(CNCC1(c2ccccc2Cl)CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H25ClF3NO2/c1-20(28,16-5-4-6-17(13-16)22(24,25)26)14-27-15-21(9-11-29-12-10-21)18-7-2-3-8-19(18)23/h2-8,13,27-28H,9-12,14-15H2,1H3
InChIKeySRGSFUNRYYRIPB-UHFFFAOYSA-N
XLogP4.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol with MolForge

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Related Compounds

3-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]benzoic acid
CID 122031056
5-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-2-methoxyphenol
CID 119124485
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide
CID 86895658
2-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-6-methylpyridin-3-ol
CID 119124472
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 27452763
1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 111121601
1-pyridin-4-yl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]methanamine
CID 75405292
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119320209
4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine
CID 115758041
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119777736
ethyl (2R)-2-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]propanoate
CID 96549803
3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride
CID 119777768

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol (CID 86941437) is 1-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol is CC(O)(CNCC1(c2ccccc2Cl)CCOCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is SRGSFUNRYYRIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClF3NO2/c1-20(28,16-5-4-6-17(13-16)22(24,25)26)14-27-15-21(9-11-29-12-10-21)18-7-2-3-8-19(18)23/h2-8,13,27-28H,9-12,14-15H2,1H3.
What are the key properties of 1-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
1-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 427.89 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 86941437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).