2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine

C16H20N2OS — CID 79260330

IUPAC2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(COc2ccc(SC)cc2)c1
InChIInChI=1S/C16H20N2OS/c1-3-9-17-13-8-10-18-14(11-13)12-19-15-4-6-16(20-2)7-5-15/h4-8,10-11H,3,9,12H2,1-2H3,(H,17,18)
InChIKeyVBKHOQMGELXVDV-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.20
Rot. Bonds7

About 2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine

2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine (PubChem CID 79260330) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine
PubChem CID79260330
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(COc2ccc(SC)cc2)c1
InChIInChI=1S/C16H20N2OS/c1-3-9-17-13-8-10-18-14(11-13)12-19-15-4-6-16(20-2)7-5-15/h4-8,10-11H,3,9,12H2,1-2H3,(H,17,18)
InChIKeyVBKHOQMGELXVDV-UHFFFAOYSA-N
XLogP4.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine
CID 79260149
2-(phenoxymethyl)-N-propylpyridin-4-amine
CID 79250988
N-methyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine
CID 79260240
2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine
CID 79251517
2-[(3-fluorophenoxy)methyl]-N-propylpyridin-4-amine
CID 79251163
4-[[4-(propylamino)-2-pyridinyl]methoxy]benzamide
CID 79245655
N-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine
CID 79261906
2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79260153
2-[(2,5-dimethylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79250898
4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile
CID 107660604
[4-[[4-(ethylamino)-2-pyridinyl]methoxy]phenyl]methanol
CID 79260144
2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine
CID 79259514

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine?
The IUPAC name of 2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine (CID 79260330) is 2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine.
What is the SMILES notation for 2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine?
The canonical SMILES for 2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine is CCCNc1ccnc(COc2ccc(SC)cc2)c1.
What is the InChIKey of 2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine?
The InChIKey is VBKHOQMGELXVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-9-17-13-8-10-18-14(11-13)12-19-15-4-6-16(20-2)7-5-15/h4-8,10-11H,3,9,12H2,1-2H3,(H,17,18).
What are the key properties of 2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine?
2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine has a molecular weight of 288.42 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine is sourced from PubChem (CID 79260330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).