1-[4-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine

C16H22N2O2S — CID 61269681

IUPAC1-[4-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OC)cc1OCc1csc(C)n1
InChIInChI=1S/C16H22N2O2S/c1-4-13(17)7-12-5-6-15(19-3)8-16(12)20-9-14-10-21-11(2)18-14/h5-6,8,10,13H,4,7,9,17H2,1-3H3
InChIKeyLRSHKPFMIYOAFA-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.32
Rot. Bonds7

About 1-[4-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine

1-[4-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine (PubChem CID 61269681) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-[4-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
PubChem CID61269681
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-[4-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OC)cc1OCc1csc(C)n1
InChIInChI=1S/C16H22N2O2S/c1-4-13(17)7-12-5-6-15(19-3)8-16(12)20-9-14-10-21-11(2)18-14/h5-6,8,10,13H,4,7,9,17H2,1-3H3
InChIKeyLRSHKPFMIYOAFA-UHFFFAOYSA-N
XLogP3.32
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
CID 115958268
1-[4-methoxy-2-(2-methylsulfanylethoxy)phenyl]butan-2-amine
CID 113474011
1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 94607240
1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine
CID 62266259
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine
CID 107701409
1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 43503813
1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine
CID 60908019
(1S)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001873
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
CID 60645457
1-(2,4-dimethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62799846
1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 61269478

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[4-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine (CID 61269681) is 1-[4-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[4-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1ccc(OC)cc1OCc1csc(C)n1.
What is the InChIKey of 1-[4-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is LRSHKPFMIYOAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-4-13(17)7-12-5-6-15(19-3)8-16(12)20-9-14-10-21-11(2)18-14/h5-6,8,10,13H,4,7,9,17H2,1-3H3.
What are the key properties of 1-[4-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine?
1-[4-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 306.43 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 61269681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).