3-[(2S)-2-aminopropyl]-5-(trifluoromethyl)phenol

C10H12F3NO — CID 131614389

IUPAC3-[(2S)-2-aminopropyl]-5-(trifluoromethyl)phenol
SMILESC[C@H](N)Cc1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c1-6(14)2-7-3-8(10(11,12)13)5-9(15)4-7/h3-6,15H,2,14H2,1H3/t6-/m0/s1
InChIKeySTNBHVRWYKPOSM-LURJTMIESA-N
MW219.21 g/mol
LogP2.30
Rot. Bonds2

About 3-[(2S)-2-aminopropyl]-5-(trifluoromethyl)phenol

3-[(2S)-2-aminopropyl]-5-(trifluoromethyl)phenol (PubChem CID 131614389) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-[(2S)-2-aminopropyl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-[(2S)-2-aminopropyl]-5-(trifluoromethyl)phenol
PubChem CID131614389
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name3-[(2S)-2-aminopropyl]-5-(trifluoromethyl)phenol
SMILESC[C@H](N)Cc1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c1-6(14)2-7-3-8(10(11,12)13)5-9(15)4-7/h3-6,15H,2,14H2,1H3/t6-/m0/s1
InChIKeySTNBHVRWYKPOSM-LURJTMIESA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2S)-2-aminopropyl]-5-(trifluoromethyl)phenol 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

1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine
CID 117337696
3-(2-aminopropyl)-5-propan-2-ylphenol
CID 117284114
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
butan-2-amine;3-(trifluoromethyl)phenol
CID 160848796
(3S)-3-[[3-hydroxy-5-(trifluoromethyl)phenyl]methyl]pentanoic acid
CID 174615401
1-[3,5-bis(trifluoromethyl)phenyl]butan-2-amine
CID 79020904
2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 87789027
1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine
CID 84727054
(1S)-1,2-bis[3,5-bis(trifluoromethyl)phenyl]ethanamine
CID 143923962
1-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]propan-2-amine
CID 161489790
(2S)-4-[3-tert-butyl-5-(trifluoromethyl)phenyl]butan-2-amine
CID 90210058
3-[2-(benzylamino)-3-hydroxypropyl]-5-(trifluoromethyl)phenol
CID 21398992

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-aminopropyl]-5-(trifluoromethyl)phenol?
The IUPAC name of 3-[(2S)-2-aminopropyl]-5-(trifluoromethyl)phenol (CID 131614389) is 3-[(2S)-2-aminopropyl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-[(2S)-2-aminopropyl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-[(2S)-2-aminopropyl]-5-(trifluoromethyl)phenol is C[C@H](N)Cc1cc(O)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[(2S)-2-aminopropyl]-5-(trifluoromethyl)phenol?
The InChIKey is STNBHVRWYKPOSM-LURJTMIESA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6(14)2-7-3-8(10(11,12)13)5-9(15)4-7/h3-6,15H,2,14H2,1H3/t6-/m0/s1.
What are the key properties of 3-[(2S)-2-aminopropyl]-5-(trifluoromethyl)phenol?
3-[(2S)-2-aminopropyl]-5-(trifluoromethyl)phenol has a molecular weight of 219.21 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-aminopropyl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 131614389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).