1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

C16H21NOS — CID 81126484

IUPAC1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)c1cc(OC)cs1
InChIInChI=1S/C16H21NOS/c1-11(2)12-5-7-13(8-6-12)16(17-3)15-9-14(18-4)10-19-15/h5-11,16-17H,1-4H3
InChIKeyBSFJDMWKSDBBNO-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.19
Rot. Bonds5

About 1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 81126484) 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-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
PubChem CID81126484
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)c1cc(OC)cs1
InChIInChI=1S/C16H21NOS/c1-11(2)12-5-7-13(8-6-12)16(17-3)15-9-14(18-4)10-19-15/h5-11,16-17H,1-4H3
InChIKeyBSFJDMWKSDBBNO-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105007159
1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122131
1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 83056844
1-(3-fluoro-5-methylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105016633
1-(2-chloro-4,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 107476237
1-(4-methoxythiophen-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021123
1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 81126757
[(3-chloro-4-methylphenyl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 107562678
1-(4-methoxythiophen-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103135686
1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105010987
[2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine
CID 81121689
[(3,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 105300329

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of 1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (CID 81126484) is 1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for 1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for 1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is CNC(c1ccc(C(C)C)cc1)c1cc(OC)cs1.
What is the InChIKey of 1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is BSFJDMWKSDBBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-11(2)12-5-7-13(8-6-12)16(17-3)15-9-14(18-4)10-19-15/h5-11,16-17H,1-4H3.
What are the key properties of 1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 275.42 g/mol, XLogP of 4.19, 5 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-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 81126484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).