1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine

C16H23NO2S — CID 117473681

IUPAC1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine
SMILESCOc1cccc(C2(C(C)N)CC2)c1OC1CCSC1
InChIInChI=1S/C16H23NO2S/c1-11(17)16(7-8-16)13-4-3-5-14(18-2)15(13)19-12-6-9-20-10-12/h3-5,11-12H,6-10,17H2,1-2H3
InChIKeyRDQQULSBAXWCKF-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.96
Rot. Bonds5

About 1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine

1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine (PubChem CID 117473681) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine
PubChem CID117473681
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine
SMILESCOc1cccc(C2(C(C)N)CC2)c1OC1CCSC1
InChIInChI=1S/C16H23NO2S/c1-11(17)16(7-8-16)13-4-3-5-14(18-2)15(13)19-12-6-9-20-10-12/h3-5,11-12H,6-10,17H2,1-2H3
InChIKeyRDQQULSBAXWCKF-UHFFFAOYSA-N
XLogP2.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclopropyl]ethanamine
CID 117492526
1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117448431
1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117448469
3-[2-(1-isocyanatocyclobutyl)-6-methoxyphenoxy]thiolane
CID 117490753
1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine
CID 115005159
2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol
CID 117426819
[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine
CID 117492478
1-[1-(2-methoxy-3-piperidin-3-yloxyphenyl)cyclopropyl]ethanamine
CID 117469553
3-amino-3-[3-methoxy-2-(thiolan-3-yloxy)phenyl]propanoic acid
CID 117478973
2-[3-methoxy-2-(thiolan-3-yloxy)phenyl]acetic acid
CID 117424669
[1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine
CID 117448428
1-[1-[3-chloro-4-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine
CID 117479613

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine (CID 117473681) is 1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine is COc1cccc(C2(C(C)N)CC2)c1OC1CCSC1.
What is the InChIKey of 1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine?
The InChIKey is RDQQULSBAXWCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-11(17)16(7-8-16)13-4-3-5-14(18-2)15(13)19-12-6-9-20-10-12/h3-5,11-12H,6-10,17H2,1-2H3.
What are the key properties of 1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine?
1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine has a molecular weight of 293.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117473681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).