2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine

C14H21NO2S — CID 117422309

IUPAC2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine
SMILESCOc1cc(C(C)CN)ccc1OC1CCSC1
InChIInChI=1S/C14H21NO2S/c1-10(8-15)11-3-4-13(14(7-11)16-2)17-12-5-6-18-9-12/h3-4,7,10,12H,5-6,8-9,15H2,1-2H3
InChIKeyAAVYXXRLARFPNN-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.64
Rot. Bonds5

About 2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine

2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine (PubChem CID 117422309) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine
PubChem CID117422309
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine
SMILESCOc1cc(C(C)CN)ccc1OC1CCSC1
InChIInChI=1S/C14H21NO2S/c1-10(8-15)11-3-4-13(14(7-11)16-2)17-12-5-6-18-9-12/h3-4,7,10,12H,5-6,8-9,15H2,1-2H3
InChIKeyAAVYXXRLARFPNN-UHFFFAOYSA-N
XLogP2.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methoxy-4-(thian-3-yloxy)phenyl]propan-1-amine
CID 117451976
2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-amine
CID 117451975
2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117424833
2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine
CID 117415732
2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol
CID 117454015
2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005127
4-amino-4-[3-methoxy-4-(thiolan-3-yloxy)phenyl]butanoic acid
CID 117496275
3-[3-methoxy-4-(thian-4-yloxy)phenyl]butanal
CID 117475106
O-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117391644
2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117434756
1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine
CID 117422381
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343381

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine?
The IUPAC name of 2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine (CID 117422309) is 2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine.
What is the SMILES notation for 2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine?
The canonical SMILES for 2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine is COc1cc(C(C)CN)ccc1OC1CCSC1.
What is the InChIKey of 2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine?
The InChIKey is AAVYXXRLARFPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10(8-15)11-3-4-13(14(7-11)16-2)17-12-5-6-18-9-12/h3-4,7,10,12H,5-6,8-9,15H2,1-2H3.
What are the key properties of 2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine?
2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine is sourced from PubChem (CID 117422309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).