N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline

C15H19NOS — CID 61333163

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline
SMILESCCc1ccc(C(C)Nc2cccc(OC)c2)s1
InChIInChI=1S/C15H19NOS/c1-4-14-8-9-15(18-14)11(2)16-12-6-5-7-13(10-12)17-3/h5-11,16H,4H2,1-3H3
InChIKeyCSEQTNLADXHPJM-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.49
Rot. Bonds5

About N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline

N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline (PubChem CID 61333163) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline
PubChem CID61333163
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline
SMILESCCc1ccc(C(C)Nc2cccc(OC)c2)s1
InChIInChI=1S/C15H19NOS/c1-4-14-8-9-15(18-14)11(2)16-12-6-5-7-13(10-12)17-3/h5-11,16H,4H2,1-3H3
InChIKeyCSEQTNLADXHPJM-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43196418
1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 61336092
N-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine
CID 63425907
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-ethynylaniline
CID 61334720
N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 61335117
1-(5-ethylthiophen-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 43480785
3-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 104775686
N-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 66241993
3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline
CID 55186067
N-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline
CID 43693725
1-(5-ethylthiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 61334131
3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
CID 28548125

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline (CID 61333163) is N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline is CCc1ccc(C(C)Nc2cccc(OC)c2)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline?
The InChIKey is CSEQTNLADXHPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-4-14-8-9-15(18-14)11(2)16-12-6-5-7-13(10-12)17-3/h5-11,16H,4H2,1-3H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline?
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline has a molecular weight of 261.39 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline is sourced from PubChem (CID 61333163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).