4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine

C12H16FNS — CID 114346511

IUPAC4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine
SMILESCc1cc(F)ccc1CC1CSCC1N
InChIInChI=1S/C12H16FNS/c1-8-4-11(13)3-2-9(8)5-10-6-15-7-12(10)14/h2-4,10,12H,5-7,14H2,1H3
InChIKeySMAHWUIGJAOXJJ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.37
Rot. Bonds2

About 4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine

4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine (PubChem CID 114346511) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine.

Molecular Properties

Compound Name4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine
PubChem CID114346511
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine
SMILESCc1cc(F)ccc1CC1CSCC1N
InChIInChI=1S/C12H16FNS/c1-8-4-11(13)3-2-9(8)5-10-6-15-7-12(10)14/h2-4,10,12H,5-7,14H2,1H3
InChIKeySMAHWUIGJAOXJJ-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chloro-5-fluorophenyl)methyl]thiolan-3-amine
CID 102616769
3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 114349423
3-[(4-fluoro-2-methylphenyl)methyl]cyclobutan-1-amine
CID 130531868
[2-[(4-fluoro-2-methylphenyl)methyl]cyclohexyl]methanamine
CID 114350126
4-[(3,5-difluorophenyl)methyl]thiolan-3-amine
CID 105404563
4-[(2,3-difluorophenyl)methyl]thiolan-3-amine
CID 83196495
1-chloro-2-[(4-fluoro-2-methylphenyl)methyl]cycloheptane
CID 114348646
1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene
CID 114349477
3-chloro-4-[(2,4-difluorophenyl)methyl]thiolane
CID 83191354
4-[(2-methoxy-5-methylphenyl)methyl]thiolan-3-amine
CID 83196810
(4-fluoro-2-methylphenyl)methylhydrazine
CID 62134816
N-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 114350172

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine?
The IUPAC name of 4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine (CID 114346511) is 4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine.
What is the SMILES notation for 4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine?
The canonical SMILES for 4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine is Cc1cc(F)ccc1CC1CSCC1N.
What is the InChIKey of 4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine?
The InChIKey is SMAHWUIGJAOXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c1-8-4-11(13)3-2-9(8)5-10-6-15-7-12(10)14/h2-4,10,12H,5-7,14H2,1H3.
What are the key properties of 4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine?
4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine has a molecular weight of 225.33 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine is sourced from PubChem (CID 114346511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).