1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine

C13H17NO2S — CID 115005159

IUPAC1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine
SMILESCOc1cccc(C2(N)CC2)c1OC1CSC1
InChIInChI=1S/C13H17NO2S/c1-15-11-4-2-3-10(13(14)5-6-13)12(11)16-9-7-17-8-9/h2-4,9H,5-8,14H2,1H3
InChIKeyGYFWRXUWQRLUIV-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.14
Rot. Bonds4

About 1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine

1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine (PubChem CID 115005159) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine
PubChem CID115005159
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine
SMILESCOc1cccc(C2(N)CC2)c1OC1CSC1
InChIInChI=1S/C13H17NO2S/c1-15-11-4-2-3-10(13(14)5-6-13)12(11)16-9-7-17-8-9/h2-4,9H,5-8,14H2,1H3
InChIKeyGYFWRXUWQRLUIV-UHFFFAOYSA-N
XLogP2.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117448431
[1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine
CID 117448428
1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117412880
1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493403
1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclohexan-1-amine
CID 117444635
1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]cyclohexan-1-amine
CID 117469482
1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine
CID 117473681
(E)-3-[3-methoxy-2-(thietan-3-yloxy)phenyl]prop-2-en-1-amine
CID 117381934
1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117448469
[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine
CID 117492478
1-[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclopropyl]ethanamine
CID 117492526
1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117342977

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine (CID 115005159) is 1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine is COc1cccc(C2(N)CC2)c1OC1CSC1.
What is the InChIKey of 1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine?
The InChIKey is GYFWRXUWQRLUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-15-11-4-2-3-10(13(14)5-6-13)12(11)16-9-7-17-8-9/h2-4,9H,5-8,14H2,1H3.
What are the key properties of 1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine?
1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine has a molecular weight of 251.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 115005159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).