1-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine

C16H21NO2S — CID 63774071

IUPAC1-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)cc1OCCc1cccs1
InChIInChI=1S/C16H21NO2S/c1-12(17)10-13-5-6-15(18-2)16(11-13)19-8-7-14-4-3-9-20-14/h3-6,9,11-12H,7-8,10,17H2,1-2H3
InChIKeyWOARJDIDZLCQHB-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.27
Rot. Bonds7

About 1-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine

1-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine (PubChem CID 63774071) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine
PubChem CID63774071
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name1-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)cc1OCCc1cccs1
InChIInChI=1S/C16H21NO2S/c1-12(17)10-13-5-6-15(18-2)16(11-13)19-8-7-14-4-3-9-20-14/h3-6,9,11-12H,7-8,10,17H2,1-2H3
InChIKeyWOARJDIDZLCQHB-UHFFFAOYSA-N
XLogP3.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine
CID 107700843
1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine
CID 106728370
1-[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]ethanol
CID 63774373
1-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-2-amine
CID 170864443
1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
CID 60908354
3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
CID 60906561
2-[(3,4-dimethoxyphenyl)methyl]thiophene
CID 175110025
1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine
CID 62600246
N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide
CID 76975002
1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63775282
(1R)-1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63370121

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine (CID 63774071) is 1-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine is COc1ccc(CC(C)N)cc1OCCc1cccs1.
What is the InChIKey of 1-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine?
The InChIKey is WOARJDIDZLCQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-12(17)10-13-5-6-15(18-2)16(11-13)19-8-7-14-4-3-9-20-14/h3-6,9,11-12H,7-8,10,17H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine?
1-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine has a molecular weight of 291.42 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63774071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).