N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine

C17H23NOS — CID 106680519

IUPACN-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H23NOS/c1-5-18-15(11-14-7-6-8-20-14)17-13(3)9-12(2)10-16(17)19-4/h6-10,15,18H,5,11H2,1-4H3
InChIKeyLRZAICPBUCHZGR-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.27
Rot. Bonds6

About N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine

N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine (PubChem CID 106680519) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine
PubChem CID106680519
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H23NOS/c1-5-18-15(11-14-7-6-8-20-14)17-13(3)9-12(2)10-16(17)19-4/h6-10,15,18H,5,11H2,1-4H3
InChIKeyLRZAICPBUCHZGR-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63528434
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine
CID 106682372
1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 61064099
1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 113460855
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine
CID 62501355
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine
CID 106682491
2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680622
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63195285
N-ethyl-2-(1-methoxycyclobutyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106682517
N-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 106680796

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine?
The IUPAC name of N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine (CID 106680519) is N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine is CCNC(Cc1cccs1)c1c(C)cc(C)cc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine?
The InChIKey is LRZAICPBUCHZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-5-18-15(11-14-7-6-8-20-14)17-13(3)9-12(2)10-16(17)19-4/h6-10,15,18H,5,11H2,1-4H3.
What are the key properties of N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine?
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine has a molecular weight of 289.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 106680519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).