1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine

C12H18FNOS — CID 105176598

IUPAC1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCNC(CCSC)c1cc(F)ccc1OC
InChIInChI=1S/C12H18FNOS/c1-14-11(6-7-16-3)10-8-9(13)4-5-12(10)15-2/h4-5,8,11,14H,6-7H2,1-3H3
InChIKeyHSXAWSKMEBPDTD-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.85
Rot. Bonds6

About 1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine

1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 105176598) has the molecular formula C12H18FNOS and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
PubChem CID105176598
Molecular FormulaC12H18FNOS
Molecular Weight243.35 g/mol
Exact Mass243.11
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCNC(CCSC)c1cc(F)ccc1OC
InChIInChI=1S/C12H18FNOS/c1-14-11(6-7-16-3)10-8-9(13)4-5-12(10)15-2/h4-5,8,11,14H,6-7H2,1-3H3
InChIKeyHSXAWSKMEBPDTD-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-fluoro-2-methoxyphenyl)-N-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-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949834
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine
CID 82769055
1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 82769952
4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
CID 105176513
1-(5-fluoro-2-methoxyphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950446
1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105141261
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 82770137
1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105176576
N-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
CID 105141589
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43485624
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 82771709

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine (CID 105176598) is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine is CNC(CCSC)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is HSXAWSKMEBPDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNOS/c1-14-11(6-7-16-3)10-8-9(13)4-5-12(10)15-2/h4-5,8,11,14H,6-7H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine?
1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 105176598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).