[2-(thietan-3-yloxy)phenyl]methanamine

C10H13NOS — CID 83484680

IUPAC[2-(thietan-3-yloxy)phenyl]methanamine
SMILESNCc1ccccc1OC1CSC1
InChIInChI=1S/C10H13NOS/c11-5-8-3-1-2-4-10(8)12-9-6-13-7-9/h1-4,9H,5-7,11H2
InChIKeyOGXBVTHOVVBEMW-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.64
Rot. Bonds3

About [2-(thietan-3-yloxy)phenyl]methanamine

[2-(thietan-3-yloxy)phenyl]methanamine (PubChem CID 83484680) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is [2-(thietan-3-yloxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-(thietan-3-yloxy)phenyl]methanamine
PubChem CID83484680
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name[2-(thietan-3-yloxy)phenyl]methanamine
SMILESNCc1ccccc1OC1CSC1
InChIInChI=1S/C10H13NOS/c11-5-8-3-1-2-4-10(8)12-9-6-13-7-9/h1-4,9H,5-7,11H2
InChIKeyOGXBVTHOVVBEMW-UHFFFAOYSA-N
XLogP1.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

O-[[2-(thietan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117302057
[2-(4-ethylcyclohexyl)oxyphenyl]methanamine
CID 19627431
[1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine
CID 117413855
3-(2-cyclopropyloxyphenyl)propan-1-amine
CID 117282623
3-[2-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117349655
[2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine
CID 152547672
[1-methyl-5-[2-(thietan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine
CID 117446779
3-[2-(thian-3-yloxy)phenyl]propan-1-ol
CID 117384484
1-[2-(thian-4-yloxy)phenyl]propan-2-amine
CID 115005189
3-[2-(thian-3-yloxy)phenyl]propanoic acid
CID 117420330
N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methylthiolan-3-amine
CID 43530803
[2-(fluoromethoxy)phenyl]methanamine;hydrochloride
CID 158704941

Frequently Asked Questions

What is the IUPAC name of [2-(thietan-3-yloxy)phenyl]methanamine?
The IUPAC name of [2-(thietan-3-yloxy)phenyl]methanamine (CID 83484680) is [2-(thietan-3-yloxy)phenyl]methanamine.
What is the SMILES notation for [2-(thietan-3-yloxy)phenyl]methanamine?
The canonical SMILES for [2-(thietan-3-yloxy)phenyl]methanamine is NCc1ccccc1OC1CSC1.
What is the InChIKey of [2-(thietan-3-yloxy)phenyl]methanamine?
The InChIKey is OGXBVTHOVVBEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c11-5-8-3-1-2-4-10(8)12-9-6-13-7-9/h1-4,9H,5-7,11H2.
What are the key properties of [2-(thietan-3-yloxy)phenyl]methanamine?
[2-(thietan-3-yloxy)phenyl]methanamine has a molecular weight of 195.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thietan-3-yloxy)phenyl]methanamine is sourced from PubChem (CID 83484680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).