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

C22H22F3NO — CID 50993016

IUPAC3-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESC[C@@H](NCCC(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-RBFZIWAESA-N
MW373.42 g/mol
LogP5.63
Rot. Bonds6

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

3-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 50993016) has the molecular formula C22H22F3NO and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID50993016
Molecular FormulaC22H22F3NO
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name3-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESC[C@@H](NCCC(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-RBFZIWAESA-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

[3-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-[3-(trifluoromethyl)phenyl]propyl] sulfate
CID 163493521
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 46194726
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
(1R)-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 70834221
2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 110896910
1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106427136
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60980974
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 105092775
2-iodo-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 24854936
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-3,5-bis(trifluoromethyl)benzamide
CID 121110209

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 50993016) is 3-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-[3-(trifluoromethyl)phenyl]propan-1-ol is C[C@@H](NCCC(O)c1cccc(C(F)(F)F)c1)c1cccc2ccccc12.
What is the InChIKey of 3-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is XQDOEVUUPRKZSA-RBFZIWAESA-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 3-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
3-[[(1R)-1-naphthalen-1-ylethyl]amino]-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 3-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 50993016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).