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

C15H21NO2S — CID 117448469

IUPAC1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
SMILESCOc1cccc(CC2(N)CC2)c1OC1CCSC1
InChIInChI=1S/C15H21NO2S/c1-17-13-4-2-3-11(9-15(16)6-7-15)14(13)18-12-5-8-19-10-12/h2-4,12H,5-10,16H2,1H3
InChIKeyBYMRXPJHPPNKHQ-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.61
Rot. Bonds5

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

1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117448469) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
PubChem CID117448469
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
SMILESCOc1cccc(CC2(N)CC2)c1OC1CCSC1
InChIInChI=1S/C15H21NO2S/c1-17-13-4-2-3-11(9-15(16)6-7-15)14(13)18-12-5-8-19-10-12/h2-4,12H,5-10,16H2,1H3
InChIKeyBYMRXPJHPPNKHQ-UHFFFAOYSA-N
XLogP2.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine with MolForge

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Related Compounds

2-[3-methoxy-2-(thiolan-3-yloxy)phenyl]acetic acid
CID 117424669
1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]propan-2-one
CID 117420326
1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117448431
3-[3-methoxy-2-(thiolan-3-yloxy)phenyl]propanoic acid
CID 117453883
2-[3-methoxy-2-(thian-4-yloxy)phenyl]acetic acid
CID 117453873
1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine
CID 117473681
2-amino-1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]ethanol
CID 117426819
3-[3-methoxy-2-(thian-4-yloxy)phenyl]propan-1-amine
CID 117451966
3-amino-3-[3-methoxy-2-(thiolan-3-yloxy)phenyl]propanoic acid
CID 117478973
1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopropan-1-amine
CID 115005159
[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine
CID 117492478
3-[2-(1-isocyanatocyclobutyl)-6-methoxyphenoxy]thiolane
CID 117490753

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine (CID 117448469) is 1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine is COc1cccc(CC2(N)CC2)c1OC1CCSC1.
What is the InChIKey of 1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is BYMRXPJHPPNKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-17-13-4-2-3-11(9-15(16)6-7-15)14(13)18-12-5-8-19-10-12/h2-4,12H,5-10,16H2,1H3.
What are the key properties of 1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine?
1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117448469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).