1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine

C17H20FNOS — CID 65142128

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
SMILESCNC(CSc1ccccc1)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C17H20FNOS/c1-19-14(12-21-15-6-4-3-5-7-15)10-13-8-9-17(20-2)16(18)11-13/h3-9,11,14,19H,10,12H2,1-2H3
InChIKeySHAQDHYKWUATFM-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.76
Rot. Bonds7

About 1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine

1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine (PubChem CID 65142128) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
PubChem CID65142128
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
SMILESCNC(CSc1ccccc1)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C17H20FNOS/c1-19-14(12-21-15-6-4-3-5-7-15)10-13-8-9-17(20-2)16(18)11-13/h3-9,11,14,19H,10,12H2,1-2H3
InChIKeySHAQDHYKWUATFM-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 65143473
1-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 62600154
1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 65142417
1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine
CID 82909676
1-(3,4-difluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 82910565
1-(3-chlorophenyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropan-2-amine
CID 62600121
1-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 107884855
4-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 105122208
1-(3-bromo-4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66073323
1-(3-chloro-4-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 103040177
4-(2,2-difluoroethoxy)-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 103149423
1-(3,4-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087965

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine (CID 65142128) is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine is CNC(CSc1ccccc1)Cc1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine?
The InChIKey is SHAQDHYKWUATFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-19-14(12-21-15-6-4-3-5-7-15)10-13-8-9-17(20-2)16(18)11-13/h3-9,11,14,19H,10,12H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine?
1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine has a molecular weight of 305.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine is sourced from PubChem (CID 65142128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).