1-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]butan-2-amine

C16H21NO2S — CID 60906591

IUPAC1-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OC)c(OCc2ccsc2)c1
InChIInChI=1S/C16H21NO2S/c1-3-14(17)8-12-4-5-15(18-2)16(9-12)19-10-13-6-7-20-11-13/h4-7,9,11,14H,3,8,10,17H2,1-2H3
InChIKeyOFPVBBRJAINRAW-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.62
Rot. Bonds7

About 1-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]butan-2-amine

1-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]butan-2-amine (PubChem CID 60906591) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]butan-2-amine
PubChem CID60906591
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name1-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OC)c(OCc2ccsc2)c1
InChIInChI=1S/C16H21NO2S/c1-3-14(17)8-12-4-5-15(18-2)16(9-12)19-10-13-6-7-20-11-13/h4-7,9,11,14H,3,8,10,17H2,1-2H3
InChIKeyOFPVBBRJAINRAW-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine
CID 55095413
1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
CID 60908354
1-[4-methoxy-3-(2-propoxyethoxy)phenyl]butan-2-amine
CID 106455598
1-[3-(2-bromoprop-2-enoxy)-4-methoxyphenyl]butan-2-amine
CID 54929465
3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide
CID 60907156
(2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine
CID 100949044
1-(4-butoxy-3-methoxyphenyl)butan-2-amine
CID 54929034
3-methoxy-4-(thiophen-3-ylmethoxy)aniline
CID 62110785
1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-amine
CID 60907255
1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine
CID 81114497
1-[4-[(E)-but-2-enoxy]-3-methoxyphenyl]butan-2-amine
CID 54928940
1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine
CID 170888861

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]butan-2-amine (CID 60906591) is 1-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]butan-2-amine is CCC(N)Cc1ccc(OC)c(OCc2ccsc2)c1.
What is the InChIKey of 1-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]butan-2-amine?
The InChIKey is OFPVBBRJAINRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-3-14(17)8-12-4-5-15(18-2)16(9-12)19-10-13-6-7-20-11-13/h4-7,9,11,14H,3,8,10,17H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]butan-2-amine?
1-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]butan-2-amine has a molecular weight of 291.42 g/mol, XLogP of 3.62, 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-(thiophen-3-ylmethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 60906591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).