N-[1-(3-fluorophenyl)propyl]-2-methyl-2-methylsulfonylpropan-1-amine

C14H22FNO2S — CID 114871691

IUPACN-[1-(3-fluorophenyl)propyl]-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCCC(NCC(C)(C)S(C)(=O)=O)c1cccc(F)c1
InChIInChI=1S/C14H22FNO2S/c1-5-13(11-7-6-8-12(15)9-11)16-10-14(2,3)19(4,17)18/h6-9,13,16H,5,10H2,1-4H3
InChIKeyXCRWLEMHUPSBIO-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.69
Rot. Bonds6

About N-[1-(3-fluorophenyl)propyl]-2-methyl-2-methylsulfonylpropan-1-amine

N-[1-(3-fluorophenyl)propyl]-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 114871691) has the molecular formula C14H22FNO2S and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propyl]-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propyl]-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID114871691
Molecular FormulaC14H22FNO2S
Molecular Weight287.40 g/mol
Exact Mass287.14
IUPAC NameN-[1-(3-fluorophenyl)propyl]-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCCC(NCC(C)(C)S(C)(=O)=O)c1cccc(F)c1
InChIInChI=1S/C14H22FNO2S/c1-5-13(11-7-6-8-12(15)9-11)16-10-14(2,3)19(4,17)18/h6-9,13,16H,5,10H2,1-4H3
InChIKeyXCRWLEMHUPSBIO-UHFFFAOYSA-N
XLogP2.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-fluorophenyl)propyl]-2-methyl-2-methylsulfonylpropan-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

(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine
CID 114871834
3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol
CID 114871634
N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871625
N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine
CID 103522681
2-[1-(3-fluorophenyl)propyl]-1,1-dimethylhydrazine
CID 114871774
1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114870966
3-[1-(3-fluorophenyl)propylamino]propanenitrile
CID 114871129
N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871847
3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide
CID 106170791
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79561039
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871438

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of N-[1-(3-fluorophenyl)propyl]-2-methyl-2-methylsulfonylpropan-1-amine (CID 114871691) is N-[1-(3-fluorophenyl)propyl]-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)propyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)propyl]-2-methyl-2-methylsulfonylpropan-1-amine is CCC(NCC(C)(C)S(C)(=O)=O)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)propyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is XCRWLEMHUPSBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2S/c1-5-13(11-7-6-8-12(15)9-11)16-10-14(2,3)19(4,17)18/h6-9,13,16H,5,10H2,1-4H3.
What are the key properties of N-[1-(3-fluorophenyl)propyl]-2-methyl-2-methylsulfonylpropan-1-amine?
N-[1-(3-fluorophenyl)propyl]-2-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 287.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propyl]-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 114871691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).