(1R)-2-[[(2R)-1-(2-methylphenyl)propan-2-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol

C19H22F3NO — CID 54087155

IUPAC(1R)-2-[[(2R)-1-(2-methylphenyl)propan-2-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCc1ccccc1C[C@@H](C)NC[C@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H22F3NO/c1-13-5-3-4-6-16(13)11-14(2)23-12-18(24)15-7-9-17(10-8-15)19(20,21)22/h3-10,14,18,23-24H,11-12H2,1-2H3/t14-,18+/m1/s1
InChIKeyMRHAWEYBNRGNJT-KDOFPFPSSA-N
MW337.39 g/mol
LogP4.27
Rot. Bonds6

About (1R)-2-[[(2R)-1-(2-methylphenyl)propan-2-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol

(1R)-2-[[(2R)-1-(2-methylphenyl)propan-2-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 54087155) has the molecular formula C19H22F3NO and a molecular weight of 337.39 g/mol. Its IUPAC name is (1R)-2-[[(2R)-1-(2-methylphenyl)propan-2-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-2-[[(2R)-1-(2-methylphenyl)propan-2-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID54087155
Molecular FormulaC19H22F3NO
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name(1R)-2-[[(2R)-1-(2-methylphenyl)propan-2-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCc1ccccc1C[C@@H](C)NC[C@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H22F3NO/c1-13-5-3-4-6-16(13)11-14(2)23-12-18(24)15-7-9-17(10-8-15)19(20,21)22/h3-10,14,18,23-24H,11-12H2,1-2H3/t14-,18+/m1/s1
InChIKeyMRHAWEYBNRGNJT-KDOFPFPSSA-N
XLogP4.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-chlorophenyl)-2-[1-(2-methylphenyl)propan-2-ylamino]ethanol
CID 70004278
2-[1-(2,4-dimethylphenyl)propan-2-ylamino]-1-phenylethanol
CID 23322164
(1R)-1-(4-chlorophenyl)-2-[1-(2-chlorophenyl)propan-2-ylamino]ethanol
CID 70002682
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide
CID 95368142
(1R)-2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol
CID 70006145
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 81392609
ethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate
CID 61499161
2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol
CID 61247016
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
2-[1-(1H-indol-3-yl)propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 139750798
2,2-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]propan-1-amine
CID 61325570

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(2R)-1-(2-methylphenyl)propan-2-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (1R)-2-[[(2R)-1-(2-methylphenyl)propan-2-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol (CID 54087155) is (1R)-2-[[(2R)-1-(2-methylphenyl)propan-2-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (1R)-2-[[(2R)-1-(2-methylphenyl)propan-2-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (1R)-2-[[(2R)-1-(2-methylphenyl)propan-2-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol is Cc1ccccc1C[C@@H](C)NC[C@H](O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1R)-2-[[(2R)-1-(2-methylphenyl)propan-2-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is MRHAWEYBNRGNJT-KDOFPFPSSA-N. The full InChI is InChI=1S/C19H22F3NO/c1-13-5-3-4-6-16(13)11-14(2)23-12-18(24)15-7-9-17(10-8-15)19(20,21)22/h3-10,14,18,23-24H,11-12H2,1-2H3/t14-,18+/m1/s1.
What are the key properties of (1R)-2-[[(2R)-1-(2-methylphenyl)propan-2-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol?
(1R)-2-[[(2R)-1-(2-methylphenyl)propan-2-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 337.39 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[(2R)-1-(2-methylphenyl)propan-2-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 54087155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).