N-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine

C17H23NOS — CID 106680796

IUPACN-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cscc1C)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H23NOS/c1-6-18-17(14-10-20-9-13(14)4)16-12(3)7-11(2)8-15(16)19-5/h7-10,17-18H,6H2,1-5H3
InChIKeyZEMGJVMBPXGBDF-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.38
Rot. Bonds5

About N-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine

N-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 106680796) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
PubChem CID106680796
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cscc1C)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H23NOS/c1-6-18-17(14-10-20-9-13(14)4)16-12(3)7-11(2)8-15(16)19-5/h7-10,17-18H,6H2,1-5H3
InChIKeyZEMGJVMBPXGBDF-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-[(3-chloro-4-methoxyphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 79802713
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680359
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine
CID 106682372
2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680622
N-[(2,6-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 116810640
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine
CID 106682491
N-[(2-methoxy-4,6-dimethylphenyl)-(1-methylcyclopropyl)methyl]ethanamine
CID 106680802
N-ethyl-2-(1-methoxycyclobutyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106682517
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine
CID 106680519
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanamine
CID 106682379
N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81126979

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine (CID 106680796) is N-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine is CCNC(c1cscc1C)c1c(C)cc(C)cc1OC.
What is the InChIKey of N-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is ZEMGJVMBPXGBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-6-18-17(14-10-20-9-13(14)4)16-12(3)7-11(2)8-15(16)19-5/h7-10,17-18H,6H2,1-5H3.
What are the key properties of N-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine?
N-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)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-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 106680796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).