N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine

C16H23FN2S — CID 106532828

IUPACN-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine
SMILESCC1CN(c2cc(F)cc(CNC3CC3)c2)CC(C)S1
InChIInChI=1S/C16H23FN2S/c1-11-9-19(10-12(2)20-11)16-6-13(5-14(17)7-16)8-18-15-3-4-15/h5-7,11-12,15,18H,3-4,8-10H2,1-2H3
InChIKeyZHKAJVXJRFRJSN-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.41
Rot. Bonds4

About N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine

N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine (PubChem CID 106532828) has the molecular formula C16H23FN2S and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine
PubChem CID106532828
Molecular FormulaC16H23FN2S
Molecular Weight294.44 g/mol
Exact Mass294.16
IUPAC NameN-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine
SMILESCC1CN(c2cc(F)cc(CNC3CC3)c2)CC(C)S1
InChIInChI=1S/C16H23FN2S/c1-11-9-19(10-12(2)20-11)16-6-13(5-14(17)7-16)8-18-15-3-4-15/h5-7,11-12,15,18H,3-4,8-10H2,1-2H3
InChIKeyZHKAJVXJRFRJSN-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106533016
N-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106532790
N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106533057
N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine
CID 106533112
N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80635458
N-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 106533126
N-[[3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 106533217
N-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533180
N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913366
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
CID 103776736
N-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine
CID 106532067

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine (CID 106532828) is N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine is CC1CN(c2cc(F)cc(CNC3CC3)c2)CC(C)S1.
What is the InChIKey of N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is ZHKAJVXJRFRJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2S/c1-11-9-19(10-12(2)20-11)16-6-13(5-14(17)7-16)8-18-15-3-4-15/h5-7,11-12,15,18H,3-4,8-10H2,1-2H3.
What are the key properties of N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine?
N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 294.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106532828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).