N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-fluorophenyl]methyl]cyclopropanamine

C17H19FN2S — CID 102926096

IUPACN-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-fluorophenyl]methyl]cyclopropanamine
SMILESCc1cc(C)nc(Sc2ccc(CNC3CC3)cc2F)c1
InChIInChI=1S/C17H19FN2S/c1-11-7-12(2)20-17(8-11)21-16-6-3-13(9-15(16)18)10-19-14-4-5-14/h3,6-9,14,19H,4-5,10H2,1-2H3
InChIKeyHEGRUZOCAZCHOR-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.24
Rot. Bonds5

About N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-fluorophenyl]methyl]cyclopropanamine

N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-fluorophenyl]methyl]cyclopropanamine (PubChem CID 102926096) has the molecular formula C17H19FN2S and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-fluorophenyl]methyl]cyclopropanamine
PubChem CID102926096
Molecular FormulaC17H19FN2S
Molecular Weight302.42 g/mol
Exact Mass302.13
IUPAC NameN-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-fluorophenyl]methyl]cyclopropanamine
SMILESCc1cc(C)nc(Sc2ccc(CNC3CC3)cc2F)c1
InChIInChI=1S/C17H19FN2S/c1-11-7-12(2)20-17(8-11)21-16-6-3-13(9-15(16)18)10-19-14-4-5-14/h3,6-9,14,19H,4-5,10H2,1-2H3
InChIKeyHEGRUZOCAZCHOR-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-fluorophenyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine
CID 63809633
N-[[3-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methyl]cyclopropanamine
CID 63805463
N-[[3-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 81160780
N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 102926098
N-[[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 81159829
2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine
CID 102926269
[4-[(cyclopropylamino)methyl]-2-fluorophenyl]boronic acid
CID 56776658
N-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 62072927
N-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]cyclopropanamine
CID 43282151
N-[[4-(2-ethylbutoxy)-3-fluorophenyl]methyl]cyclopropanamine
CID 107688315
N-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine
CID 55240024
N-[[3-chloro-4-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 81151281

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-fluorophenyl]methyl]cyclopropanamine (CID 102926096) is N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-fluorophenyl]methyl]cyclopropanamine is Cc1cc(C)nc(Sc2ccc(CNC3CC3)cc2F)c1.
What is the InChIKey of N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is HEGRUZOCAZCHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2S/c1-11-7-12(2)20-17(8-11)21-16-6-3-13(9-15(16)18)10-19-14-4-5-14/h3,6-9,14,19H,4-5,10H2,1-2H3.
What are the key properties of N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-fluorophenyl]methyl]cyclopropanamine?
N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 302.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 102926096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).