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

C17H24N2OS — CID 61487231

IUPACN-methyl-1-[5-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
SMILESCNC(C)c1cc(C)ccc1OCc1csc(C(C)C)n1
InChIInChI=1S/C17H24N2OS/c1-11(2)17-19-14(10-21-17)9-20-16-7-6-12(3)8-15(16)13(4)18-5/h6-8,10-11,13,18H,9H2,1-5H3
InChIKeyRLZYQCKNWYTXIS-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.43
Rot. Bonds6

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

N-methyl-1-[5-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine (PubChem CID 61487231) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
PubChem CID61487231
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-methyl-1-[5-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
SMILESCNC(C)c1cc(C)ccc1OCc1csc(C(C)C)n1
InChIInChI=1S/C17H24N2OS/c1-11(2)17-19-14(10-21-17)9-20-16-7-6-12(3)8-15(16)13(4)18-5/h6-8,10-11,13,18H,9H2,1-5H3
InChIKeyRLZYQCKNWYTXIS-UHFFFAOYSA-N
XLogP4.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[4-fluoro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 63064444
N-methyl-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 43505122
N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 43505135
4-[(4-bromo-2-methylphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 63530798
(1R)-1-[5-chloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 63366748
1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine
CID 63499730
(1R)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-methylphenyl]ethanamine
CID 55190625
1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487675
N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine
CID 43505072
N-methyl-1-[5-methyl-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880374
1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4308987
4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 104704731

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
The IUPAC name of N-methyl-1-[5-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine (CID 61487231) is N-methyl-1-[5-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[5-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine is CNC(C)c1cc(C)ccc1OCc1csc(C(C)C)n1.
What is the InChIKey of N-methyl-1-[5-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
The InChIKey is RLZYQCKNWYTXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-11(2)17-19-14(10-21-17)9-20-16-7-6-12(3)8-15(16)13(4)18-5/h6-8,10-11,13,18H,9H2,1-5H3.
What are the key properties of N-methyl-1-[5-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
N-methyl-1-[5-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine has a molecular weight of 304.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 61487231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).