2-(2-methylsulfanylphenoxy)propan-1-amine

C10H15NOS — CID 63648328

IUPAC2-(2-methylsulfanylphenoxy)propan-1-amine
SMILESCSc1ccccc1OC(C)CN
InChIInChI=1S/C10H15NOS/c1-8(7-11)12-9-5-3-4-6-10(9)13-2/h3-6,8H,7,11H2,1-2H3
InChIKeyQCJDNXRKKUXTNW-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.13
Rot. Bonds4

About 2-(2-methylsulfanylphenoxy)propan-1-amine

2-(2-methylsulfanylphenoxy)propan-1-amine (PubChem CID 63648328) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-(2-methylsulfanylphenoxy)propan-1-amine.

Molecular Properties

Compound Name2-(2-methylsulfanylphenoxy)propan-1-amine
PubChem CID63648328
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-(2-methylsulfanylphenoxy)propan-1-amine
SMILESCSc1ccccc1OC(C)CN
InChIInChI=1S/C10H15NOS/c1-8(7-11)12-9-5-3-4-6-10(9)13-2/h3-6,8H,7,11H2,1-2H3
InChIKeyQCJDNXRKKUXTNW-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenoxy)propan-1-amine;hydrochloride
CID 86262696
2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine
CID 63647284
2-(2,3-dimethylphenoxy)propan-1-amine
CID 22688786
2-(2-prop-1-enylphenoxy)propan-1-amine
CID 76943563
N'-hydroxy-2-(2-methylsulfanylphenoxy)propanimidamide
CID 77003399
(2-methylsulfanylphenyl) hypoiodite
CID 144554638
2-(3-methoxyphenyl)-2-(2-methylsulfanylphenoxy)ethanamine
CID 63648144
N-[4-(2-methylsulfanylphenoxy)pentyl]cyclopropanamine
CID 63649238
1-(2-methylsulfanylphenoxy)propan-2-one
CID 63649691
1-(2-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 63648828
2-[4-(2-methylsulfanylphenoxy)phenyl]ethanamine
CID 63802833
(2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine
CID 104867977

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylphenoxy)propan-1-amine?
The IUPAC name of 2-(2-methylsulfanylphenoxy)propan-1-amine (CID 63648328) is 2-(2-methylsulfanylphenoxy)propan-1-amine.
What is the SMILES notation for 2-(2-methylsulfanylphenoxy)propan-1-amine?
The canonical SMILES for 2-(2-methylsulfanylphenoxy)propan-1-amine is CSc1ccccc1OC(C)CN.
What is the InChIKey of 2-(2-methylsulfanylphenoxy)propan-1-amine?
The InChIKey is QCJDNXRKKUXTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-8(7-11)12-9-5-3-4-6-10(9)13-2/h3-6,8H,7,11H2,1-2H3.
What are the key properties of 2-(2-methylsulfanylphenoxy)propan-1-amine?
2-(2-methylsulfanylphenoxy)propan-1-amine has a molecular weight of 197.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylphenoxy)propan-1-amine is sourced from PubChem (CID 63648328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).