1-(4,5-dimethoxy-2-methylphenyl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine

C23H28N2O3S — CID 86884942

IUPAC1-(4,5-dimethoxy-2-methylphenyl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
SMILESCOc1cc(C)c(C(C)NCc2ccc(OCc3csc(C)n3)cc2)cc1OC
InChIInChI=1S/C23H28N2O3S/c1-15-10-22(26-4)23(27-5)11-21(15)16(2)24-12-18-6-8-20(9-7-18)28-13-19-14-29-17(3)25-19/h6-11,14,16,24H,12-13H2,1-5H3
InChIKeyFSMSOVAFMCFBKY-UHFFFAOYSA-N
MW412.56 g/mol
LogP5.21
Rot. Bonds9

About 1-(4,5-dimethoxy-2-methylphenyl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine

1-(4,5-dimethoxy-2-methylphenyl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 86884942) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID86884942
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
SMILESCOc1cc(C)c(C(C)NCc2ccc(OCc3csc(C)n3)cc2)cc1OC
InChIInChI=1S/C23H28N2O3S/c1-15-10-22(26-4)23(27-5)11-21(15)16(2)24-12-18-6-8-20(9-7-18)28-13-19-14-29-17(3)25-19/h6-11,14,16,24H,12-13H2,1-5H3
InChIKeyFSMSOVAFMCFBKY-UHFFFAOYSA-N
XLogP5.21
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.56
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4,5-dimethoxy-2-methylphenyl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 61281296
(1R)-1-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781229
(1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 92763777
2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
CID 110905977
3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide
CID 34253937
N-[[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107687734
2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
CID 111112628
2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 58112081
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 103777248
1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 43503813
2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 54930722
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46655596

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine (CID 86884942) is 1-(4,5-dimethoxy-2-methylphenyl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine is COc1cc(C)c(C(C)NCc2ccc(OCc3csc(C)n3)cc2)cc1OC.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is FSMSOVAFMCFBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-15-10-22(26-4)23(27-5)11-21(15)16(2)24-12-18-6-8-20(9-7-18)28-13-19-14-29-17(3)25-19/h6-11,14,16,24H,12-13H2,1-5H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine?
1-(4,5-dimethoxy-2-methylphenyl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 412.56 g/mol, XLogP of 5.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 86884942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).