3-[5-(3-methoxyphenyl)thiophen-2-yl]propan-1-amine

C14H17NOS — CID 170878912

IUPAC3-[5-(3-methoxyphenyl)thiophen-2-yl]propan-1-amine
SMILESCOc1cccc(-c2ccc(CCCN)s2)c1
InChIInChI=1S/C14H17NOS/c1-16-12-5-2-4-11(10-12)14-8-7-13(17-14)6-3-9-15/h2,4-5,7-8,10H,3,6,9,15H2,1H3
InChIKeyNJNGIRZGNIASLF-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.32
Rot. Bonds5

About 3-[5-(3-methoxyphenyl)thiophen-2-yl]propan-1-amine

3-[5-(3-methoxyphenyl)thiophen-2-yl]propan-1-amine (PubChem CID 170878912) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-[5-(3-methoxyphenyl)thiophen-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(3-methoxyphenyl)thiophen-2-yl]propan-1-amine
PubChem CID170878912
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name3-[5-(3-methoxyphenyl)thiophen-2-yl]propan-1-amine
SMILESCOc1cccc(-c2ccc(CCCN)s2)c1
InChIInChI=1S/C14H17NOS/c1-16-12-5-2-4-11(10-12)14-8-7-13(17-14)6-3-9-15/h2,4-5,7-8,10H,3,6,9,15H2,1H3
InChIKeyNJNGIRZGNIASLF-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(3-methoxyphenyl)thiophene-2-carbonitrile
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[4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine
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3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine
CID 28750683
2-ethyl-5-(4-methoxyphenyl)thiophene
CID 21064460
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CID 174719266
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methoxyphenyl)thiophen-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(3-methoxyphenyl)thiophen-2-yl]propan-1-amine (CID 170878912) is 3-[5-(3-methoxyphenyl)thiophen-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(3-methoxyphenyl)thiophen-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(3-methoxyphenyl)thiophen-2-yl]propan-1-amine is COc1cccc(-c2ccc(CCCN)s2)c1.
What is the InChIKey of 3-[5-(3-methoxyphenyl)thiophen-2-yl]propan-1-amine?
The InChIKey is NJNGIRZGNIASLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-16-12-5-2-4-11(10-12)14-8-7-13(17-14)6-3-9-15/h2,4-5,7-8,10H,3,6,9,15H2,1H3.
What are the key properties of 3-[5-(3-methoxyphenyl)thiophen-2-yl]propan-1-amine?
3-[5-(3-methoxyphenyl)thiophen-2-yl]propan-1-amine has a molecular weight of 247.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methoxyphenyl)thiophen-2-yl]propan-1-amine is sourced from PubChem (CID 170878912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).