4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine

C16H21NOS — CID 61078016

IUPAC4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine
SMILESCNC(CCc1ccc(OC)cc1)Cc1ccsc1
InChIInChI=1S/C16H21NOS/c1-17-15(11-14-9-10-19-12-14)6-3-13-4-7-16(18-2)8-5-13/h4-5,7-10,12,15,17H,3,6,11H2,1-2H3
InChIKeyHDIQHSCLPWRPEH-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.52
Rot. Bonds7

About 4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine

4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine (PubChem CID 61078016) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine
PubChem CID61078016
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine
SMILESCNC(CCc1ccc(OC)cc1)Cc1ccsc1
InChIInChI=1S/C16H21NOS/c1-17-15(11-14-9-10-19-12-14)6-3-13-4-7-16(18-2)8-5-13/h4-5,7-10,12,15,17H,3,6,11H2,1-2H3
InChIKeyHDIQHSCLPWRPEH-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine
CID 61078547
4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol
CID 63016896
4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine
CID 61473299
1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 62319829
4-(4-methoxyphenyl)-N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 105152237
1,4-di(thiophen-3-yl)butan-2-ylhydrazine
CID 105306843
N-methyl-1-methylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 62694241
1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 116661623
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962
4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063943
1-(2-fluoro-3-methoxyphenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105180556
(4-phenyl-1-thiophen-3-ylbutan-2-yl)hydrazine
CID 105205761

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine (CID 61078016) is 4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine is CNC(CCc1ccc(OC)cc1)Cc1ccsc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine?
The InChIKey is HDIQHSCLPWRPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-17-15(11-14-9-10-19-12-14)6-3-13-4-7-16(18-2)8-5-13/h4-5,7-10,12,15,17H,3,6,11H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine?
4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 61078016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).