N-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine

C16H20N2OS — CID 63648734

IUPACN-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCSc1ccccc1Oc1ncccc1CNC(C)C
InChIInChI=1S/C16H20N2OS/c1-12(2)18-11-13-7-6-10-17-16(13)19-14-8-4-5-9-15(14)20-3/h4-10,12,18H,11H2,1-3H3
InChIKeyZPRHTBAJVHZTEH-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.09
Rot. Bonds6

About N-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine

N-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 63648734) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID63648734
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCSc1ccccc1Oc1ncccc1CNC(C)C
InChIInChI=1S/C16H20N2OS/c1-12(2)18-11-13-7-6-10-17-16(13)19-14-8-4-5-9-15(14)20-3/h4-10,12,18H,11H2,1-3H3
InChIKeyZPRHTBAJVHZTEH-UHFFFAOYSA-N
XLogP4.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296049
N-[[2-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 76938464
N-[[2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297430
N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830
N-[[2-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297086
N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289954
N-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62322927
N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 82831234
N-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297778
N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62288607
N-[(2-cyclobutyloxy-3-pyridinyl)methyl]propan-2-amine
CID 62287341
N-[(2-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 43283723

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine (CID 63648734) is N-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine is CSc1ccccc1Oc1ncccc1CNC(C)C.
What is the InChIKey of N-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is ZPRHTBAJVHZTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12(2)18-11-13-7-6-10-17-16(13)19-14-8-4-5-9-15(14)20-3/h4-10,12,18H,11H2,1-3H3.
What are the key properties of N-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 288.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 63648734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).