1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-2-ol

C15H21F3N2O — CID 116695799

IUPAC1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-2-ol
SMILESNCC(O)(CCN(CC(F)(F)F)C1CC1)c1ccccc1
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)11-20(13-6-7-13)9-8-14(21,10-19)12-4-2-1-3-5-12/h1-5,13,21H,6-11,19H2
InChIKeyHMDCZYUOTIQCAR-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.25
Rot. Bonds7

About 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-2-ol

1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-2-ol (PubChem CID 116695799) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-2-ol
PubChem CID116695799
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-2-ol
SMILESNCC(O)(CCN(CC(F)(F)F)C1CC1)c1ccccc1
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)11-20(13-6-7-13)9-8-14(21,10-19)12-4-2-1-3-5-12/h1-5,13,21H,6-11,19H2
InChIKeyHMDCZYUOTIQCAR-UHFFFAOYSA-N
XLogP2.25
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-2-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

4-[3-(Trifluoromethyl)phenyl]-4-piperidinol
CID 75255
3-Amino-1,1,1-trifluoro-2-phenylpropan-2-ol
CID 21024138
4-Piperidinol, 1-cyclopropyl-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride
CID 3064342
2-Methyl-3-phenylpyrrolidin-3-ol--hydrogen chloride (1/1)
CID 3051393
3-Pyrrolidinol, 2,5-dimethyl-3-phenyl-, hydrochloride
CID 3051569
3-(4-Fluorophenyl)pyrrolidin-3-ol
CID 200557
2-(Methylamino)-3-phenylpentan-3-ol--hydrogen chloride (1/1)
CID 32996
3-(Methylamino)-2-phenylbutan-2-ol--hydrogen chloride (1/1)
CID 57616
3-Pyrrolidinol, 2-methyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride
CID 120919
3-(4-Fluorophenyl)-5-methylpyrrolidin-3-ol--hydrogen chloride (1/1)
CID 200854
5-Methyl-3-phenylpyrrolidin-3-ol--hydrogen chloride (1/1)
CID 3051394
5-Ethyl-3-phenylpyrrolidin-3-ol--hydrogen chloride (1/1)
CID 3051577

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-2-ol?
The IUPAC name of 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-2-ol (CID 116695799) is 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-2-ol.
What is the SMILES notation for 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-2-ol?
The canonical SMILES for 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-2-ol is NCC(O)(CCN(CC(F)(F)F)C1CC1)c1ccccc1.
What is the InChIKey of 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-2-ol?
The InChIKey is HMDCZYUOTIQCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c16-15(17,18)11-20(13-6-7-13)9-8-14(21,10-19)12-4-2-1-3-5-12/h1-5,13,21H,6-11,19H2.
What are the key properties of 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-2-ol?
1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-2-ol has a molecular weight of 302.34 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-2-ol is sourced from PubChem (CID 116695799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).