(1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine

C16H22N2OS — CID 63649933

IUPAC(1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
SMILESCCCc1nc(COc2cc(C)ccc2[C@@H](C)N)cs1
InChIInChI=1S/C16H22N2OS/c1-4-5-16-18-13(10-20-16)9-19-15-8-11(2)6-7-14(15)12(3)17/h6-8,10,12H,4-5,9,17H2,1-3H3/t12-/m1/s1
InChIKeyZCLHLLXSIQYEOD-GFCCVEGCSA-N
MW290.43 g/mol
LogP4.00
Rot. Bonds6

About (1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine

(1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine (PubChem CID 63649933) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is (1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
PubChem CID63649933
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
SMILESCCCc1nc(COc2cc(C)ccc2[C@@H](C)N)cs1
InChIInChI=1S/C16H22N2OS/c1-4-5-16-18-13(10-20-16)9-19-15-8-11(2)6-7-14(15)12(3)17/h6-8,10,12H,4-5,9,17H2,1-3H3/t12-/m1/s1
InChIKeyZCLHLLXSIQYEOD-GFCCVEGCSA-N
XLogP4.00
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 78935756
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487340
(1R)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-methylphenyl]ethanamine
CID 55190625
(1R)-1-[5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 63366752
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 61487424
(1R)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 55245155
[6-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanamine
CID 79150632
1-[4-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 55244186
(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629
(1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 78947153
1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]ethanamine
CID 104796365
(1R)-1-[4-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 102946677

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine (CID 63649933) is (1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine is CCCc1nc(COc2cc(C)ccc2[C@@H](C)N)cs1.
What is the InChIKey of (1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
The InChIKey is ZCLHLLXSIQYEOD-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-5-16-18-13(10-20-16)9-19-15-8-11(2)6-7-14(15)12(3)17/h6-8,10,12H,4-5,9,17H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
(1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine has a molecular weight of 290.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 63649933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).