1-[[(1R)-1-naphthalen-1-ylethyl]amino]-3-[3-(trifluoromethyl)phenyl]propan-2-ol

C22H22F3NO — CID 134843424

IUPAC1-[[(1R)-1-naphthalen-1-ylethyl]amino]-3-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@@H](NCC(O)Cc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C22H22F3NO/c1-15(20-11-5-8-17-7-2-3-10-21(17)20)26-14-19(27)13-16-6-4-9-18(12-16)22(23,24)25/h2-12,15,19,26-27H,13-14H2,1H3/t15-,19?/m1/s1
InChIKeyRKGMCBHMYFYWOB-NYRJJRHWSA-N
MW373.42 g/mol
LogP5.11
Rot. Bonds6

About 1-[[(1R)-1-naphthalen-1-ylethyl]amino]-3-[3-(trifluoromethyl)phenyl]propan-2-ol

1-[[(1R)-1-naphthalen-1-ylethyl]amino]-3-[3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 134843424) has the molecular formula C22H22F3NO and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-[[(1R)-1-naphthalen-1-ylethyl]amino]-3-[3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-naphthalen-1-ylethyl]amino]-3-[3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID134843424
Molecular FormulaC22H22F3NO
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name1-[[(1R)-1-naphthalen-1-ylethyl]amino]-3-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@@H](NCC(O)Cc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C22H22F3NO/c1-15(20-11-5-8-17-7-2-3-10-21(17)20)26-14-19(27)13-16-6-4-9-18(12-16)22(23,24)25/h2-12,15,19,26-27H,13-14H2,1H3/t15-,19?/m1/s1
InChIKeyRKGMCBHMYFYWOB-NYRJJRHWSA-N
XLogP5.11
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 ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[(1R)-1-naphthalen-1-ylethyl]amino]-3-[3-(trifluoromethyl)phenyl]propan-2-ol with MolForge

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Related Compounds

2-{[(2-Methylphenyl)methyl]amino}-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647918
3-Phenyl-2-{[2-(trifluoromethyl)benzyl]amino}-1-propanol
CID 15944997
(R)-1-((R)-1-(2,3-difluorobenzyl)pyrrolidin-2-yl)-2-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)ethanol
CID 44405855
(3S,6S)-6-Benzhydryl-N-(naphthalen-1-ylmethyl)tetrahydro-2H-pyran-3-amine
CID 52951851
1-Phenyl-2-{[2-(trifluoromethyl)benzyl]amino}-1-propanol hydrochloride
CID 2979940
2-[Benzyl(propan-2-yl)amino]-1-naphthalen-2-ylethanol
CID 59570700
3-[(3,5-Difluorophenyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol
CID 59570740
(1R,2R)-2-naphthalen-2-yl-1-phenyl-3-(2,2,2-trifluoroethylamino)propan-1-ol
CID 118689237
3,6-Di-trifluoromethyl-9-[1-hydroxy-3-[N-n-butylamino]propyl]phenanthrene
CID 432279
alpha-(2-Piperidyl)-3,6-bis(trifluoromethyl)-9-phenanthrenemethanol
CID 161869
2-(Pyren-1-ylmethylamino)butan-1-ol;hydrochloride
CID 21247315
2-(Pyren-1-ylmethylamino)propan-1-ol;hydrochloride
CID 21247318

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-naphthalen-1-ylethyl]amino]-3-[3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-[[(1R)-1-naphthalen-1-ylethyl]amino]-3-[3-(trifluoromethyl)phenyl]propan-2-ol (CID 134843424) is 1-[[(1R)-1-naphthalen-1-ylethyl]amino]-3-[3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-naphthalen-1-ylethyl]amino]-3-[3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[[(1R)-1-naphthalen-1-ylethyl]amino]-3-[3-(trifluoromethyl)phenyl]propan-2-ol is C[C@@H](NCC(O)Cc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.
What is the InChIKey of 1-[[(1R)-1-naphthalen-1-ylethyl]amino]-3-[3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is RKGMCBHMYFYWOB-NYRJJRHWSA-N. The full InChI is InChI=1S/C22H22F3NO/c1-15(20-11-5-8-17-7-2-3-10-21(17)20)26-14-19(27)13-16-6-4-9-18(12-16)22(23,24)25/h2-12,15,19,26-27H,13-14H2,1H3/t15-,19?/m1/s1.
What are the key properties of 1-[[(1R)-1-naphthalen-1-ylethyl]amino]-3-[3-(trifluoromethyl)phenyl]propan-2-ol?
1-[[(1R)-1-naphthalen-1-ylethyl]amino]-3-[3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 373.42 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-naphthalen-1-ylethyl]amino]-3-[3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 134843424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).