(2R)-1-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]-3-phenylbutan-2-ol

C17H19F3N2O — CID 91614594

IUPAC(2R)-1-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)[C@@H](O)CN(C)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C17H19F3N2O/c1-12(13-6-4-3-5-7-13)16(23)11-22(2)15-8-14(9-21-10-15)17(18,19)20/h3-10,12,16,23H,11H2,1-2H3/t12?,16-/m0/s1
InChIKeyNNRGYHRLQRUTPQ-INSVYWFGSA-N
MW324.35 g/mol
LogP3.70
Rot. Bonds5

About (2R)-1-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]-3-phenylbutan-2-ol

(2R)-1-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]-3-phenylbutan-2-ol (PubChem CID 91614594) has the molecular formula C17H19F3N2O and a molecular weight of 324.35 g/mol. Its IUPAC name is (2R)-1-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]-3-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R)-1-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]-3-phenylbutan-2-ol
PubChem CID91614594
Molecular FormulaC17H19F3N2O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name(2R)-1-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)[C@@H](O)CN(C)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C17H19F3N2O/c1-12(13-6-4-3-5-7-13)16(23)11-22(2)15-8-14(9-21-10-15)17(18,19)20/h3-10,12,16,23H,11H2,1-2H3/t12?,16-/m0/s1
InChIKeyNNRGYHRLQRUTPQ-INSVYWFGSA-N
XLogP3.70
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]-3-phenylbutan-2-ol?
The IUPAC name of (2R)-1-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]-3-phenylbutan-2-ol (CID 91614594) is (2R)-1-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]-3-phenylbutan-2-ol.
What is the SMILES notation for (2R)-1-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]-3-phenylbutan-2-ol?
The canonical SMILES for (2R)-1-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]-3-phenylbutan-2-ol is CC(c1ccccc1)[C@@H](O)CN(C)c1cncc(C(F)(F)F)c1.
What is the InChIKey of (2R)-1-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]-3-phenylbutan-2-ol?
The InChIKey is NNRGYHRLQRUTPQ-INSVYWFGSA-N. The full InChI is InChI=1S/C17H19F3N2O/c1-12(13-6-4-3-5-7-13)16(23)11-22(2)15-8-14(9-21-10-15)17(18,19)20/h3-10,12,16,23H,11H2,1-2H3/t12?,16-/m0/s1.
What are the key properties of (2R)-1-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]-3-phenylbutan-2-ol?
(2R)-1-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]-3-phenylbutan-2-ol has a molecular weight of 324.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]-3-phenylbutan-2-ol is sourced from PubChem (CID 91614594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).