(1R,2R)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol

C15H22F3NO — CID 90683348

IUPAC(1R,2R)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCC(C)(C)N[C@H](C)[C@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-5-14(3,4)19-10(2)13(20)11-6-8-12(9-7-11)15(16,17)18/h6-10,13,19-20H,5H2,1-4H3/t10-,13+/m1/s1
InChIKeySZXMVRRDNBTGDP-MFKMUULPSA-N
MW289.34 g/mol
LogP3.91
Rot. Bonds5

About (1R,2R)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol

(1R,2R)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 90683348) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is (1R,2R)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID90683348
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name(1R,2R)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCC(C)(C)N[C@H](C)[C@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-5-14(3,4)19-10(2)13(20)11-6-8-12(9-7-11)15(16,17)18/h6-10,13,19-20H,5H2,1-4H3/t10-,13+/m1/s1
InChIKeySZXMVRRDNBTGDP-MFKMUULPSA-N
XLogP3.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of (1R,2R)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol (CID 90683348) is (1R,2R)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for (1R,2R)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for (1R,2R)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol is CCC(C)(C)N[C@H](C)[C@H](O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1R,2R)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is SZXMVRRDNBTGDP-MFKMUULPSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-5-14(3,4)19-10(2)13(20)11-6-8-12(9-7-11)15(16,17)18/h6-10,13,19-20H,5H2,1-4H3/t10-,13+/m1/s1.
What are the key properties of (1R,2R)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
(1R,2R)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 289.34 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 90683348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).