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

C14H21NO2S — CID 117422381

IUPAC1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)cc1OC1CCSC1
InChIInChI=1S/C14H21NO2S/c1-10(15)7-11-3-4-13(16-2)14(8-11)17-12-5-6-18-9-12/h3-4,8,10,12H,5-7,9,15H2,1-2H3
InChIKeyQIPHNHNSQRQOJJ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.47
Rot. Bonds5

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

1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine (PubChem CID 117422381) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine
PubChem CID117422381
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)cc1OC1CCSC1
InChIInChI=1S/C14H21NO2S/c1-10(15)7-11-3-4-13(16-2)14(8-11)17-12-5-6-18-9-12/h3-4,8,10,12H,5-7,9,15H2,1-2H3
InChIKeyQIPHNHNSQRQOJJ-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methoxy-1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]methanamine
CID 117426802
1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine
CID 117446741
1-[3-chloro-4-(thian-3-yloxy)phenyl]propan-2-amine
CID 117460477
O-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117391644
[4-methoxy-3-(thian-4-yloxy)phenyl]methanamine
CID 115005336
2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117424833
O-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine
CID 117426919
1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine
CID 64738457
1-[4-(4-ethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine
CID 64776692
O-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine
CID 117455774
1-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-2-ol
CID 115005752
2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine
CID 117422309

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine?
The IUPAC name of 1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine (CID 117422381) is 1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine is COc1ccc(CC(C)N)cc1OC1CCSC1.
What is the InChIKey of 1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine?
The InChIKey is QIPHNHNSQRQOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10(15)7-11-3-4-13(16-2)14(8-11)17-12-5-6-18-9-12/h3-4,8,10,12H,5-7,9,15H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine?
1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine has a molecular weight of 267.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine is sourced from PubChem (CID 117422381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).