N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine

C14H22FNS — CID 115719668

IUPACN-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNC(C)Cc1cccc(F)c1
InChIInChI=1S/C14H22FNS/c1-11(10-17-3)9-16-12(2)7-13-5-4-6-14(15)8-13/h4-6,8,11-12,16H,7,9-10H2,1-3H3
InChIKeyIVXQMLYXISNYOC-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.35
Rot. Bonds7

About N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine

N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 115719668) has the molecular formula C14H22FNS and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine
PubChem CID115719668
Molecular FormulaC14H22FNS
Molecular Weight255.40 g/mol
Exact Mass255.15
IUPAC NameN-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNC(C)Cc1cccc(F)c1
InChIInChI=1S/C14H22FNS/c1-11(10-17-3)9-16-12(2)7-13-5-4-6-14(15)8-13/h4-6,8,11-12,16H,7,9-10H2,1-3H3
InChIKeyIVXQMLYXISNYOC-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-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

1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol
CID 115894977
4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 106840986
N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine
CID 115890781
2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide
CID 115706785
1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
CID 103901403
1-fluoro-3-[(2S)-2-methylbutyl]benzene
CID 125477231
1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine
CID 115634120
4-ethylsulfanyl-N-[1-(3-fluorophenyl)propan-2-yl]butan-2-amine
CID 113262395
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
1-[1-(3-fluorophenyl)propan-2-yl]-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea
CID 111455614
N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine (CID 115719668) is N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine is CSCC(C)CNC(C)Cc1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is IVXQMLYXISNYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNS/c1-11(10-17-3)9-16-12(2)7-13-5-4-6-14(15)8-13/h4-6,8,11-12,16H,7,9-10H2,1-3H3.
What are the key properties of N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine?
N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 115719668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).