(3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propan-1-ol

C10H12F3NO — CID 25419085

IUPAC(3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESN[C@@H](CCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)8-3-1-7(2-4-8)9(14)5-6-15/h1-4,9,15H,5-6,14H2/t9-/m0/s1
InChIKeyMPKKRINVDNIFBP-VIFPVBQESA-N
MW219.21 g/mol
LogP2.09
Rot. Bonds3

About (3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propan-1-ol

(3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 25419085) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is (3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID25419085
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name(3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESN[C@@H](CCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)8-3-1-7(2-4-8)9(14)5-6-15/h1-4,9,15H,5-6,14H2/t9-/m0/s1
InChIKeyMPKKRINVDNIFBP-VIFPVBQESA-N
XLogP2.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-3-amino-3-[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

phenylalaninol, (S)-
CID 447213
phenylalaninol, (R)-
CID 853475
DL-Phenylalaninol
CID 76652
Benzenepentanol, delta-amino-
CID 99992
2-Amino-2-phenylethanol
CID 92466
(R)-beta-aminophenethyl alcohol
CID 2724025
1-Propanol, 3-amino-3-phenyl-
CID 203500
3-Amino-2,2-dimethyl-3-phenylpropan-1-ol
CID 10103748
2-(4-(Aminomethyl)phenyl)ethan-1-ol
CID 22601458
3-Amino-2-{[4-(trifluoromethyl)phenyl]methyl}propan-1-ol
CID 43184303
2-Amino-2-phenylethan-1-ol
CID 134797
2-Amino-3-(perfluoropropyl)-1-phenyl-3-propanol
CID 22284216

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of (3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propan-1-ol (CID 25419085) is (3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for (3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propan-1-ol is N[C@@H](CCO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is MPKKRINVDNIFBP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)8-3-1-7(2-4-8)9(14)5-6-15/h1-4,9,15H,5-6,14H2/t9-/m0/s1.
What are the key properties of (3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propan-1-ol?
(3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 219.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 25419085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).