3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline

C15H19NOS — CID 63993267

IUPAC3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCCOc1cccc(NC(C)c2sccc2C)c1
InChIInChI=1S/C15H19NOS/c1-4-17-14-7-5-6-13(10-14)16-12(3)15-11(2)8-9-18-15/h5-10,12,16H,4H2,1-3H3
InChIKeyIDGJPAVWQZAENW-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.63
Rot. Bonds5

About 3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline

3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline (PubChem CID 63993267) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
PubChem CID63993267
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCCOc1cccc(NC(C)c2sccc2C)c1
InChIInChI=1S/C15H19NOS/c1-4-17-14-7-5-6-13(10-14)16-12(3)15-11(2)8-9-18-15/h5-10,12,16H,4H2,1-3H3
InChIKeyIDGJPAVWQZAENW-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 79989016
(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol
CID 79992255
N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 79989146
2-[1-(3-ethoxyanilino)ethyl]phenol
CID 54865033
2-ethoxy-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63992858
3-ethoxy-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 60935217
N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline
CID 54864881
N-[1-(3-bromothiophen-2-yl)ethyl]-3-butan-2-yloxyaniline
CID 63477114
N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide
CID 63992234
3-ethoxy-N-[(2R)-pentan-2-yl]aniline
CID 93363089
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline
CID 60935970
3-ethoxy-N-(3-methoxybutan-2-yl)aniline
CID 115917474

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline (CID 63993267) is 3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline is CCOc1cccc(NC(C)c2sccc2C)c1.
What is the InChIKey of 3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is IDGJPAVWQZAENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-4-17-14-7-5-6-13(10-14)16-12(3)15-11(2)8-9-18-15/h5-10,12,16H,4H2,1-3H3.
What are the key properties of 3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline has a molecular weight of 261.39 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 63993267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).