(1S,2R)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]-1-phenylpropan-1-ol

C19H22F3NO — CID 134850408

IUPAC(1S,2R)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]-1-phenylpropan-1-ol
SMILESC[C@H]([C@@H](O)c1ccccc1)N(C)CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3NO/c1-14(18(24)16-8-4-3-5-9-16)23(2)12-11-15-7-6-10-17(13-15)19(20,21)22/h3-10,13-14,18,24H,11-12H2,1-2H3/t14-,18-/m1/s1
InChIKeyJQHUCFNNKJNBGA-RDTXWAMCSA-N
MW337.39 g/mol
LogP4.30
Rot. Bonds6

About (1S,2R)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]-1-phenylpropan-1-ol

(1S,2R)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]-1-phenylpropan-1-ol (PubChem CID 134850408) has the molecular formula C19H22F3NO and a molecular weight of 337.39 g/mol. Its IUPAC name is (1S,2R)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]-1-phenylpropan-1-ol
PubChem CID134850408
Molecular FormulaC19H22F3NO
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name(1S,2R)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]-1-phenylpropan-1-ol
SMILESC[C@H]([C@@H](O)c1ccccc1)N(C)CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3NO/c1-14(18(24)16-8-4-3-5-9-16)23(2)12-11-15-7-6-10-17(13-15)19(20,21)22/h3-10,13-14,18,24H,11-12H2,1-2H3/t14-,18-/m1/s1
InChIKeyJQHUCFNNKJNBGA-RDTXWAMCSA-N
XLogP4.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]-1-phenylpropan-1-ol?
The IUPAC name of (1S,2R)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]-1-phenylpropan-1-ol (CID 134850408) is (1S,2R)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2R)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2R)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]-1-phenylpropan-1-ol is C[C@H]([C@@H](O)c1ccccc1)N(C)CCc1cccc(C(F)(F)F)c1.
What is the InChIKey of (1S,2R)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]-1-phenylpropan-1-ol?
The InChIKey is JQHUCFNNKJNBGA-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H22F3NO/c1-14(18(24)16-8-4-3-5-9-16)23(2)12-11-15-7-6-10-17(13-15)19(20,21)22/h3-10,13-14,18,24H,11-12H2,1-2H3/t14-,18-/m1/s1.
What are the key properties of (1S,2R)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]-1-phenylpropan-1-ol?
(1S,2R)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]-1-phenylpropan-1-ol has a molecular weight of 337.39 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 134850408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).