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

C16H21NOS — CID 105095361

IUPAC1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)c1ccc(OC)cc1
InChIInChI=1S/C16H21NOS/c1-17-16(7-3-5-15-6-4-12-19-15)13-8-10-14(18-2)11-9-13/h4,6,8-12,16-17H,3,5,7H2,1-2H3
InChIKeyBIZYEZDNEMUUGN-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.04
Rot. Bonds7

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

1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 105095361) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
PubChem CID105095361
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)c1ccc(OC)cc1
InChIInChI=1S/C16H21NOS/c1-17-16(7-3-5-15-6-4-12-19-15)13-8-10-14(18-2)11-9-13/h4,6,8-12,16-17H,3,5,7H2,1-2H3
InChIKeyBIZYEZDNEMUUGN-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105168382
1-(2-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 103397395
1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105144559
N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774226
1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105093570
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105178278
1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105146730
1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol
CID 65185856
1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105178716
N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine
CID 105172657
N-methyl-1-quinolin-6-yl-4-thiophen-2-ylbutan-1-amine
CID 105172395
1-(3-cyclopropyloxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105188622

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine (CID 105095361) is 1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine is CNC(CCCc1cccs1)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is BIZYEZDNEMUUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-17-16(7-3-5-15-6-4-12-19-15)13-8-10-14(18-2)11-9-13/h4,6,8-12,16-17H,3,5,7H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 105095361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).