1-(2-methoxyphenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine

C14H21NO2S — CID 79325944

IUPAC1-(2-methoxyphenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine
SMILESCCC(N)C(SC1COC1)c1ccccc1OC
InChIInChI=1S/C14H21NO2S/c1-3-12(15)14(18-10-8-17-9-10)11-6-4-5-7-13(11)16-2/h4-7,10,12,14H,3,8-9,15H2,1-2H3
InChIKeyKEGVJNQKVZLHNU-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.61
Rot. Bonds6

About 1-(2-methoxyphenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine

1-(2-methoxyphenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine (PubChem CID 79325944) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine
PubChem CID79325944
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(2-methoxyphenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine
SMILESCCC(N)C(SC1COC1)c1ccccc1OC
InChIInChI=1S/C14H21NO2S/c1-3-12(15)14(18-10-8-17-9-10)11-6-4-5-7-13(11)16-2/h4-7,10,12,14H,3,8-9,15H2,1-2H3
InChIKeyKEGVJNQKVZLHNU-UHFFFAOYSA-N
XLogP2.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine
CID 79325822
1-(2-bromophenyl)-1-(oxan-4-ylsulfanyl)butan-2-amine
CID 62997494
1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine
CID 63115132
methyl 2-[2-amino-1-(2-methoxyphenyl)butyl]sulfanylacetate
CID 55021558
1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine
CID 63115131
1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine
CID 55021945
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
1-[(1R,2S)-1,2-bis(ethylsulfanyl)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzene
CID 101140556
3-ethyl-1-(2-methoxyphenyl)pentan-1-amine
CID 82919557
1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine
CID 62124586
1-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine
CID 83218854
1-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)sulfanylpropan-2-amine
CID 107748324

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine (CID 79325944) is 1-(2-methoxyphenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine is CCC(N)C(SC1COC1)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine?
The InChIKey is KEGVJNQKVZLHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-12(15)14(18-10-8-17-9-10)11-6-4-5-7-13(11)16-2/h4-7,10,12,14H,3,8-9,15H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine?
1-(2-methoxyphenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine has a molecular weight of 267.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine is sourced from PubChem (CID 79325944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).