N-[[6-[(2-chlorophenyl)methylsulfanyl]-5-methyl-3-pyridinyl]methyl]propan-1-amine

C17H21ClN2S — CID 103290770

IUPACN-[[6-[(2-chlorophenyl)methylsulfanyl]-5-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(SCc2ccccc2Cl)c(C)c1
InChIInChI=1S/C17H21ClN2S/c1-3-8-19-10-14-9-13(2)17(20-11-14)21-12-15-6-4-5-7-16(15)18/h4-7,9,11,19H,3,8,10,12H2,1-2H3
InChIKeyDMWKNZJIPRDPAX-UHFFFAOYSA-N
MW320.89 g/mol
LogP4.84
Rot. Bonds7

About N-[[6-[(2-chlorophenyl)methylsulfanyl]-5-methyl-3-pyridinyl]methyl]propan-1-amine

N-[[6-[(2-chlorophenyl)methylsulfanyl]-5-methyl-3-pyridinyl]methyl]propan-1-amine (PubChem CID 103290770) has the molecular formula C17H21ClN2S and a molecular weight of 320.89 g/mol. Its IUPAC name is N-[[6-[(2-chlorophenyl)methylsulfanyl]-5-methyl-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-[(2-chlorophenyl)methylsulfanyl]-5-methyl-3-pyridinyl]methyl]propan-1-amine
PubChem CID103290770
Molecular FormulaC17H21ClN2S
Molecular Weight320.89 g/mol
Exact Mass320.11
IUPAC NameN-[[6-[(2-chlorophenyl)methylsulfanyl]-5-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(SCc2ccccc2Cl)c(C)c1
InChIInChI=1S/C17H21ClN2S/c1-3-8-19-10-14-9-13(2)17(20-11-14)21-12-15-6-4-5-7-16(15)18/h4-7,9,11,19H,3,8,10,12H2,1-2H3
InChIKeyDMWKNZJIPRDPAX-UHFFFAOYSA-N
XLogP4.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[6-[(2-chlorophenyl)methylsulfanyl]-5-methyl-3-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[6-[(4-chlorophenyl)methylsulfanyl]-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 114792392
N-[(6-benzylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methoxyethanamine
CID 80628187
3-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]sulfanyl]propane-1,2-diol
CID 80651761
N-[[6-(2-methoxyphenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80639530
N-[[6-(4-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80639402
N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297479
2-[(2-chlorophenyl)methylsulfanyl]-5-methylpyridin-3-amine
CID 103288225
4-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-N-propylpyrimidin-2-amine
CID 103291569
N-[[3-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]propan-1-amine
CID 66349028
N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629075
2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 80640625
N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 60976157

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2-chlorophenyl)methylsulfanyl]-5-methyl-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-[(2-chlorophenyl)methylsulfanyl]-5-methyl-3-pyridinyl]methyl]propan-1-amine (CID 103290770) is N-[[6-[(2-chlorophenyl)methylsulfanyl]-5-methyl-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-[(2-chlorophenyl)methylsulfanyl]-5-methyl-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-[(2-chlorophenyl)methylsulfanyl]-5-methyl-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(SCc2ccccc2Cl)c(C)c1.
What is the InChIKey of N-[[6-[(2-chlorophenyl)methylsulfanyl]-5-methyl-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is DMWKNZJIPRDPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2S/c1-3-8-19-10-14-9-13(2)17(20-11-14)21-12-15-6-4-5-7-16(15)18/h4-7,9,11,19H,3,8,10,12H2,1-2H3.
What are the key properties of N-[[6-[(2-chlorophenyl)methylsulfanyl]-5-methyl-3-pyridinyl]methyl]propan-1-amine?
N-[[6-[(2-chlorophenyl)methylsulfanyl]-5-methyl-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 320.89 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2-chlorophenyl)methylsulfanyl]-5-methyl-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 103290770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).