3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine

C13H12F3N — CID 62790893

IUPAC3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
SMILESNC(CC(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C13H12F3N/c14-13(15,16)8-12(17)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8,17H2
InChIKeyKMVOMNRLMVKMGN-UHFFFAOYSA-N
MW239.24 g/mol
LogP3.79
Rot. Bonds2

About 3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine

3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine (PubChem CID 62790893) has the molecular formula C13H12F3N and a molecular weight of 239.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
PubChem CID62790893
Molecular FormulaC13H12F3N
Molecular Weight239.24 g/mol
Exact Mass239.09
IUPAC Name3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
SMILESNC(CC(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C13H12F3N/c14-13(15,16)8-12(17)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8,17H2
InChIKeyKMVOMNRLMVKMGN-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine 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

N'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60892912
(1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine
CID 103693865
(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103693880
(1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine
CID 97290639
1-naphthalen-1-yl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82781742
2-chloro-1-naphthalen-1-ylethanamine
CID 116937640
(1R)-2,2,3,3,3-pentafluoro-1-naphthalen-1-ylpropan-1-amine;hydrochloride
CID 171312597
(1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103693902
1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 62548875
(1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine
CID 131385428
1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 112693542
1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride
CID 171212454

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine (CID 62790893) is 3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine is NC(CC(F)(F)F)c1cccc2ccccc12.
What is the InChIKey of 3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine?
The InChIKey is KMVOMNRLMVKMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N/c14-13(15,16)8-12(17)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8,17H2.
What are the key properties of 3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine?
3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine has a molecular weight of 239.24 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine is sourced from PubChem (CID 62790893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).