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

C16H21NO2S — CID 60908354

IUPAC1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2cccs2)c(OC)c1
InChIInChI=1S/C16H21NO2S/c1-3-13(17)9-12-6-7-15(16(10-12)18-2)19-11-14-5-4-8-20-14/h4-8,10,13H,3,9,11,17H2,1-2H3
InChIKeyKMAVQHBWYIHTOX-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.62
Rot. Bonds7

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

1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine (PubChem CID 60908354) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
PubChem CID60908354
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2cccs2)c(OC)c1
InChIInChI=1S/C16H21NO2S/c1-3-13(17)9-12-6-7-15(16(10-12)18-2)19-11-14-5-4-8-20-14/h4-8,10,13H,3,9,11,17H2,1-2H3
InChIKeyKMAVQHBWYIHTOX-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

2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene
CID 29272309
2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]butan-1-ol;hydrochloride
CID 17290099
1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
CID 60907942
1-(4-butoxy-3-methoxyphenyl)butan-2-amine
CID 54929034
1-[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]butan-2-amine
CID 60906591
(1R)-1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 63364423
tert-butyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 6965110
1-[3-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]butan-2-amine
CID 60907255
2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide
CID 119271670
1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine
CID 62603614
1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine
CID 81114497
1-[4-[(E)-but-2-enoxy]-3-methoxyphenyl]butan-2-amine
CID 54928940

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine (CID 60908354) is 1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine is CCC(N)Cc1ccc(OCc2cccs2)c(OC)c1.
What is the InChIKey of 1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine?
The InChIKey is KMAVQHBWYIHTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-3-13(17)9-12-6-7-15(16(10-12)18-2)19-11-14-5-4-8-20-14/h4-8,10,13H,3,9,11,17H2,1-2H3.
What are the key properties of 1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine?
1-[3-methoxy-4-(thiophen-2-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-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 60908354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).