1-(3-ethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanamine

C15H19NOS — CID 79975339

IUPAC1-(3-ethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanamine
SMILESCCc1ccsc1C(N)Cc1cccc(OC)c1
InChIInChI=1S/C15H19NOS/c1-3-12-7-8-18-15(12)14(16)10-11-5-4-6-13(9-11)17-2/h4-9,14H,3,10,16H2,1-2H3
InChIKeyVRGPDDUCWPBEEL-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.56
Rot. Bonds5

About 1-(3-ethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanamine

1-(3-ethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanamine (PubChem CID 79975339) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanamine
PubChem CID79975339
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-(3-ethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanamine
SMILESCCc1ccsc1C(N)Cc1cccc(OC)c1
InChIInChI=1S/C15H19NOS/c1-3-12-7-8-18-15(12)14(16)10-11-5-4-6-13(9-11)17-2/h4-9,14H,3,10,16H2,1-2H3
InChIKeyVRGPDDUCWPBEEL-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 115862188
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
2-(3-methoxyphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43110626
2-(2,6-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105024445
2-(3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 55006586
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
3-chloro-2-[1-chloro-2-(3-methoxyphenyl)ethyl]thiophene
CID 80530538
2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine
CID 62600114
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine
CID 43198146
2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 81121763
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanamine (CID 79975339) is 1-(3-ethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanamine is CCc1ccsc1C(N)Cc1cccc(OC)c1.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanamine?
The InChIKey is VRGPDDUCWPBEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-3-12-7-8-18-15(12)14(16)10-11-5-4-6-13(9-11)17-2/h4-9,14H,3,10,16H2,1-2H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanamine?
1-(3-ethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 79975339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).