(1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride

C9H11ClF3N — CID 171204882

IUPAC(1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1c(F)cc(F)cc1F.Cl
InChIInChI=1S/C9H10F3N.ClH/c1-2-8(13)9-6(11)3-5(10)4-7(9)12;/h3-4,8H,2,13H2,1H3;1H/t8-;/m1./s1
InChIKeyCWMODSHMVUPIDG-DDWIOCJRSA-N
MW225.64 g/mol
LogP2.94
Rot. Bonds2

About (1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride

(1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride (PubChem CID 171204882) has the molecular formula C9H11ClF3N and a molecular weight of 225.64 g/mol. Its IUPAC name is (1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride
PubChem CID171204882
Molecular FormulaC9H11ClF3N
Molecular Weight225.64 g/mol
Exact Mass225.05
IUPAC Name(1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1c(F)cc(F)cc1F.Cl
InChIInChI=1S/C9H10F3N.ClH/c1-2-8(13)9-6(11)3-5(10)4-7(9)12;/h3-4,8H,2,13H2,1H3;1H/t8-;/m1./s1
InChIKeyCWMODSHMVUPIDG-DDWIOCJRSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride 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

(1S)-1-(2,4,6-trifluorophenyl)hexan-1-amine;hydrochloride
CID 171224460
(2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
CID 171204906
(1S)-3-methyl-1-(2,4,6-trifluorophenyl)butan-1-amine
CID 28501623
(1R)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 131142487
(1S)-2-methoxy-1-(2,4,6-trifluorophenyl)ethanamine
CID 130731385
(1R)-3-methyl-1-(2,4,6-trifluorophenyl)but-3-en-1-amine;hydrochloride
CID 171204902
(1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine
CID 171204878
1-(2,4,6-trifluorophenyl)propan-1-ol
CID 61087665
2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43330154
(4-butan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 65101153
2-[(1R)-1-amino-3-methylbutyl]-3,5-difluorophenol;hydrochloride
CID 171256551
2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 43198662

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride (CID 171204882) is (1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride is CC[C@@H](N)c1c(F)cc(F)cc1F.Cl.
What is the InChIKey of (1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride?
The InChIKey is CWMODSHMVUPIDG-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H10F3N.ClH/c1-2-8(13)9-6(11)3-5(10)4-7(9)12;/h3-4,8H,2,13H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride?
(1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride has a molecular weight of 225.64 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171204882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).