1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine

C12H16FNS — CID 117034879

IUPAC1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine
SMILESCNCC1(Sc2ccc(F)c(C)c2)CC1
InChIInChI=1S/C12H16FNS/c1-9-7-10(3-4-11(9)13)15-12(5-6-12)8-14-2/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyWPRMKFUBOBOWPM-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.98
Rot. Bonds4

About 1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine

1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine (PubChem CID 117034879) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine
PubChem CID117034879
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine
SMILESCNCC1(Sc2ccc(F)c(C)c2)CC1
InChIInChI=1S/C12H16FNS/c1-9-7-10(3-4-11(9)13)15-12(5-6-12)8-14-2/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyWPRMKFUBOBOWPM-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)sulfanylcyclopropyl]-N-methylmethanamine
CID 117034869
[1-(4-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine
CID 117034948
[3-(4-fluoro-3-methylphenyl)sulfanyloxetan-3-yl]methanol
CID 117035245
1-[1-(4-tert-butylphenyl)sulfanylcyclopropyl]-N-methylmethanamine
CID 117034899
1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene
CID 141268136
(4-fluoro-3-methylphenyl)sulfanylhydrazine
CID 117036003
(4-fluoro-3-methylphenyl)sulfanylmethanethiol
CID 117033691
[1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine
CID 117034858
1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene
CID 91655286
1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one
CID 117034104
1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol
CID 65210645
1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine
CID 115256614

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine (CID 117034879) is 1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine is CNCC1(Sc2ccc(F)c(C)c2)CC1.
What is the InChIKey of 1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine?
The InChIKey is WPRMKFUBOBOWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c1-9-7-10(3-4-11(9)13)15-12(5-6-12)8-14-2/h3-4,7,14H,5-6,8H2,1-2H3.
What are the key properties of 1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine?
1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine has a molecular weight of 225.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 117034879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).