N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine

C17H23NOS — CID 81126979

IUPACN-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(OC)cs1)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H23NOS/c1-6-18-17(15-9-14(19-5)10-20-15)16-12(3)7-11(2)8-13(16)4/h7-10,17-18H,6H2,1-5H3
InChIKeyRISHVORSWJPKCZ-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.38
Rot. Bonds5

About N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine

N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine (PubChem CID 81126979) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
PubChem CID81126979
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(OC)cs1)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H23NOS/c1-6-18-17(15-9-14(19-5)10-20-15)16-12(3)7-11(2)8-13(16)4/h7-10,17-18H,6H2,1-5H3
InChIKeyRISHVORSWJPKCZ-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 106878110
1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 81126757
N-[(3,5-dimethylthiophen-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81156669
N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105013677
N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81127102
N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 81128002
N-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81128007
N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81127179
(2-methoxy-4,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 106682646
N-[(4-cyclopropyloxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105051586
N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 102649227
N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035974

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine (CID 81126979) is N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine is CCNC(c1cc(OC)cs1)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The InChIKey is RISHVORSWJPKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-6-18-17(15-9-14(19-5)10-20-15)16-12(3)7-11(2)8-13(16)4/h7-10,17-18H,6H2,1-5H3.
What are the key properties of N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine has a molecular weight of 289.44 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 81126979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).