N-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline

C16H21NO2S — CID 61334130

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline
SMILESCCc1ccc(C(C)Nc2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C16H21NO2S/c1-5-13-7-9-16(20-13)11(2)17-12-6-8-14(18-3)15(10-12)19-4/h6-11,17H,5H2,1-4H3
InChIKeySMTPPZFTJBMWQF-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.50
Rot. Bonds6

About N-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline

N-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline (PubChem CID 61334130) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline
PubChem CID61334130
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline
SMILESCCc1ccc(C(C)Nc2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C16H21NO2S/c1-5-13-7-9-16(20-13)11(2)17-12-6-8-14(18-3)15(10-12)19-4/h6-11,17H,5H2,1-4H3
InChIKeySMTPPZFTJBMWQF-UHFFFAOYSA-N
XLogP4.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline
CID 61333163
N-[1-(5-ethylthiophen-2-yl)ethyl]naphthalen-2-amine
CID 63425907
3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline
CID 55186067
3-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 104775686
1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376974
(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198261
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
3,5-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 107572802
4-[1-(5-ethylthiophen-2-yl)ethylamino]benzoic acid
CID 61333563
N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline
CID 61335118
2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 61334963
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-ethynylaniline
CID 61334720

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline (CID 61334130) is N-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline is CCc1ccc(C(C)Nc2ccc(OC)c(OC)c2)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline?
The InChIKey is SMTPPZFTJBMWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-5-13-7-9-16(20-13)11(2)17-12-6-8-14(18-3)15(10-12)19-4/h6-11,17H,5H2,1-4H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline?
N-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline has a molecular weight of 291.42 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline is sourced from PubChem (CID 61334130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).