[1-(4-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine

C12H16FNS — CID 117034948

IUPAC[1-(4-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine
SMILESCc1cc(SC2(CN)CCC2)ccc1F
InChIInChI=1S/C12H16FNS/c1-9-7-10(3-4-11(9)13)15-12(8-14)5-2-6-12/h3-4,7H,2,5-6,8,14H2,1H3
InChIKeyWHRYBPKRLXNPJA-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.11
Rot. Bonds3

About [1-(4-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine

[1-(4-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine (PubChem CID 117034948) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is [1-(4-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(4-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine
PubChem CID117034948
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name[1-(4-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine
SMILESCc1cc(SC2(CN)CCC2)ccc1F
InChIInChI=1S/C12H16FNS/c1-9-7-10(3-4-11(9)13)15-12(8-14)5-2-6-12/h3-4,7H,2,5-6,8,14H2,1H3
InChIKeyWHRYBPKRLXNPJA-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-fluorophenyl)sulfanylcyclobutyl]methanamine
CID 66071975
1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine
CID 117034879
[1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine
CID 117034858
[1-(3,4-dimethoxyphenyl)sulfanylcyclobutyl]methanamine
CID 117034954
[3-(4-fluoro-3-methylphenyl)sulfanyloxetan-3-yl]methanol
CID 117035245
[1-(3-fluorophenyl)sulfanylcyclopropyl]methanamine
CID 66071413
1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene
CID 141268136
[1-[2-(4-fluoro-3-methylphenyl)ethyl]cyclobutyl]methanamine
CID 90212397
[2-(4-chlorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine
CID 66142585
[1-(3-fluorophenyl)sulfanyl-4-methylcyclohexyl]methanamine
CID 66071209
1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116958754
[1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine
CID 82401788

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine?
The IUPAC name of [1-(4-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine (CID 117034948) is [1-(4-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine.
What is the SMILES notation for [1-(4-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine?
The canonical SMILES for [1-(4-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine is Cc1cc(SC2(CN)CCC2)ccc1F.
What is the InChIKey of [1-(4-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine?
The InChIKey is WHRYBPKRLXNPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c1-9-7-10(3-4-11(9)13)15-12(8-14)5-2-6-12/h3-4,7H,2,5-6,8,14H2,1H3.
What are the key properties of [1-(4-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine?
[1-(4-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine has a molecular weight of 225.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine is sourced from PubChem (CID 117034948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).