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

C18H23NOS — CID 105188622

IUPAC1-(3-cyclopropyloxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)c1cccc(OC2CC2)c1
InChIInChI=1S/C18H23NOS/c1-19-18(9-3-7-17-8-4-12-21-17)14-5-2-6-16(13-14)20-15-10-11-15/h2,4-6,8,12-13,15,18-19H,3,7,9-11H2,1H3
InChIKeyAQKXMRKWHOXWDT-UHFFFAOYSA-N
MW301.45 g/mol
LogP4.57
Rot. Bonds8

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

1-(3-cyclopropyloxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 105188622) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
PubChem CID105188622
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC Name1-(3-cyclopropyloxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)c1cccc(OC2CC2)c1
InChIInChI=1S/C18H23NOS/c1-19-18(9-3-7-17-8-4-12-21-17)14-5-2-6-16(13-14)20-15-10-11-15/h2,4-6,8,12-13,15,18-19H,3,7,9-11H2,1H3
InChIKeyAQKXMRKWHOXWDT-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.57
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-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105095361
3-(3-cyclopropyloxyphenyl)-N-methyl-1-phenylpropan-1-amine
CID 114522988
1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105144559
1-(3-cyclopropyloxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105188537
1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105146730
1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105170024
1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
CID 105051902
N-methyl-1-quinolin-6-yl-4-thiophen-2-ylbutan-1-amine
CID 105172395
N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine
CID 105172657
1-(furan-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105146981
1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105093570

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine (CID 105188622) is 1-(3-cyclopropyloxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine is CNC(CCCc1cccs1)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is AQKXMRKWHOXWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-19-18(9-3-7-17-8-4-12-21-17)14-5-2-6-16(13-14)20-15-10-11-15/h2,4-6,8,12-13,15,18-19H,3,7,9-11H2,1H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
1-(3-cyclopropyloxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 301.45 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 105188622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).