1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine

C16H21NOS — CID 81126757

IUPAC1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
SMILESCNC(c1cc(OC)cs1)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H21NOS/c1-10-6-11(2)15(12(3)7-10)16(17-4)14-8-13(18-5)9-19-14/h6-9,16-17H,1-5H3
InChIKeyFJVMBZJZXWEJLH-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.99
Rot. Bonds4

About 1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine

1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine (PubChem CID 81126757) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Name1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
PubChem CID81126757
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
SMILESCNC(c1cc(OC)cs1)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H21NOS/c1-10-6-11(2)15(12(3)7-10)16(17-4)14-8-13(18-5)9-19-14/h6-9,16-17H,1-5H3
InChIKeyFJVMBZJZXWEJLH-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81126979
1-(3-fluoro-5-methylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105016633
1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 83056844
(2-methoxy-4,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 106682646
N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 106878110
1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 81126484
2-(3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 115800875
1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105010987
1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122131
1-(2-bromo-4,5-dimethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81121817
1-(2-chloro-4,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 107476237
1-(4-methoxythiophen-2-yl)-N,2-dimethylbutan-1-amine
CID 105017620

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of 1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine (CID 81126757) is 1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for 1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for 1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine is CNC(c1cc(OC)cs1)c1c(C)cc(C)cc1C.
What is the InChIKey of 1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is FJVMBZJZXWEJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-10-6-11(2)15(12(3)7-10)16(17-4)14-8-13(18-5)9-19-14/h6-9,16-17H,1-5H3.
What are the key properties of 1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine has a molecular weight of 275.42 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 81126757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).