(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pseudoephedrine
CID 7028
Ephedrine
CID 9294
Phenylpropanolamine
CID 10297
Ephedrine Hydrochloride
CID 65326
Cathine
CID 441457
Pseudoephedrine Hydrochloride
CID 9581
Pronethalol
CID 4930
DL-Ephedrine
CID 5032
N-Methylephedrine
CID 4374
Methylephedrine
CID 64782
(1S,2R)-(+)-Norephedrine
CID 4786
DL-Ephedrine hydrochloride
CID 8648

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).