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

C16H22N2OS — CID 115958268

IUPAC1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(C)c1OCc1csc(C)n1
InChIInChI=1S/C16H22N2OS/c1-4-14(17)8-13-7-5-6-11(2)16(13)19-9-15-10-20-12(3)18-15/h5-7,10,14H,4,8-9,17H2,1-3H3
InChIKeyPCHKWKAZDNCUSK-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.62
Rot. Bonds6

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

1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine (PubChem CID 115958268) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
PubChem CID115958268
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(C)c1OCc1csc(C)n1
InChIInChI=1S/C16H22N2OS/c1-4-14(17)8-13-7-5-6-11(2)16(13)19-9-15-10-20-12(3)18-15/h5-7,10,14H,4,8-9,17H2,1-3H3
InChIKeyPCHKWKAZDNCUSK-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 115958215
1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine
CID 104808041
1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine
CID 60908019
1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958198
1-[4-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
CID 61269681
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953912
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-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine
CID 112615535
1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958219
1-(2-but-3-enoxy-3-methylphenyl)butan-2-amine
CID 112615496
2-[3-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 112615108

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine (CID 115958268) is 1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1cccc(C)c1OCc1csc(C)n1.
What is the InChIKey of 1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is PCHKWKAZDNCUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-14(17)8-13-7-5-6-11(2)16(13)19-9-15-10-20-12(3)18-15/h5-7,10,14H,4,8-9,17H2,1-3H3.
What are the key properties of 1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine?
1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 115958268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).