(1R)-3-(1-naphthalen-1-ylethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol

C22H22F3NO — CID 67052601

IUPAC(1R)-3-(1-naphthalen-1-ylethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC(NCC[C@@H](O)c1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C22H22F3NO/c1-15(19-11-5-7-16-6-2-3-10-20(16)19)26-13-12-21(27)17-8-4-9-18(14-17)22(23,24)25/h2-11,14-15,21,26-27H,12-13H2,1H3/t15?,21-/m1/s1
InChIKeyXQDOEVUUPRKZSA-MZVUKIKXSA-N
MW373.42 g/mol
LogP5.63
Rot. Bonds6

About (1R)-3-(1-naphthalen-1-ylethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol

(1R)-3-(1-naphthalen-1-ylethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 67052601) has the molecular formula C22H22F3NO and a molecular weight of 373.42 g/mol. Its IUPAC name is (1R)-3-(1-naphthalen-1-ylethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-3-(1-naphthalen-1-ylethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID67052601
Molecular FormulaC22H22F3NO
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name(1R)-3-(1-naphthalen-1-ylethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC(NCC[C@@H](O)c1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C22H22F3NO/c1-15(19-11-5-7-16-6-2-3-10-20(16)19)26-13-12-21(27)17-8-4-9-18(14-17)22(23,24)25/h2-11,14-15,21,26-27H,12-13H2,1H3/t15?,21-/m1/s1
InChIKeyXQDOEVUUPRKZSA-MZVUKIKXSA-N
XLogP5.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.42
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pronethalol
CID 4930
(1S,2S)-3-(Methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 20631904
Pronetalol hydrochloride
CID 60975
2-(Benzylamino)-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647917
2-{[(2-Methylphenyl)methyl]amino}-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647918
Pronetalol, (R)-
CID 6604181
alpha-[[Methyl-[[2'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]methyl]amino]methyl]-benzenemethanol
CID 10249485
(1R,2R)-3-(methylamino)-2-(naphthalen-2-yl)-1-phenylpropan-1-ol
CID 20631901
2-(Benzylamino)-1,2-diphenylethanol
CID 222507
1-Naphthalen-2-ylmethyl-4-(3-trifluoromethyl-phenyl)-piperidin-4-ol
CID 44339450
2-(4-Phenylbutan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 44522412
1-[3-(Trifluoromethyl)phenyl]-2-[1-(2,4,6-trimethylphenyl)propan-2-ylamino]ethanol;hydrochloride
CID 44522697

Frequently Asked Questions

What is the IUPAC name of (1R)-3-(1-naphthalen-1-ylethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of (1R)-3-(1-naphthalen-1-ylethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 67052601) is (1R)-3-(1-naphthalen-1-ylethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-3-(1-naphthalen-1-ylethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for (1R)-3-(1-naphthalen-1-ylethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol is CC(NCC[C@@H](O)c1cccc(C(F)(F)F)c1)c1cccc2ccccc12.
What is the InChIKey of (1R)-3-(1-naphthalen-1-ylethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is XQDOEVUUPRKZSA-MZVUKIKXSA-N. The full InChI is InChI=1S/C22H22F3NO/c1-15(19-11-5-7-16-6-2-3-10-20(16)19)26-13-12-21(27)17-8-4-9-18(14-17)22(23,24)25/h2-11,14-15,21,26-27H,12-13H2,1H3/t15?,21-/m1/s1.
What are the key properties of (1R)-3-(1-naphthalen-1-ylethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
(1R)-3-(1-naphthalen-1-ylethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 373.42 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(1-naphthalen-1-ylethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 67052601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).