2-(3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine

C16H21NOS — CID 115800875

IUPAC2-(3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(C)cc(C)c1)c1cc(OC)cs1
InChIInChI=1S/C16H21NOS/c1-11-5-12(2)7-13(6-11)8-15(17-3)16-9-14(18-4)10-19-16/h5-7,9-10,15,17H,8H2,1-4H3
InChIKeyVLPWRKSPPKRQCC-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.88
Rot. Bonds5

About 2-(3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine

2-(3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine (PubChem CID 115800875) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
PubChem CID115800875
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-(3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(C)cc(C)c1)c1cc(OC)cs1
InChIInChI=1S/C16H21NOS/c1-11-5-12(2)7-13(6-11)8-15(17-3)16-9-14(18-4)10-19-16/h5-7,9-10,15,17H,8H2,1-4H3
InChIKeyVLPWRKSPPKRQCC-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81122347
2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 105024776
2-(furan-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 105030240
1-(4-methoxythiophen-2-yl)-N-methylpentan-1-amine
CID 115833083
1-(4-methoxythiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 105013504
2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81122345
2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81121768
1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 81126757
1-(3-fluoro-5-methylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105016633
1-(4-methoxythiophen-2-yl)-N,2-dimethylbutan-1-amine
CID 105017620
1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115829185
N-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81122534

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine (CID 115800875) is 2-(3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine is CNC(Cc1cc(C)cc(C)c1)c1cc(OC)cs1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine?
The InChIKey is VLPWRKSPPKRQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-11-5-12(2)7-13(6-11)8-15(17-3)16-9-14(18-4)10-19-16/h5-7,9-10,15,17H,8H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine?
2-(3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 115800875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).