1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine

C15H19BrN2OS — CID 63020144

IUPAC1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(Br)c1OCc1cnc(C)s1
InChIInChI=1S/C15H19BrN2OS/c1-3-12(17)7-11-5-4-6-14(16)15(11)19-9-13-8-18-10(2)20-13/h4-6,8,12H,3,7,9,17H2,1-2H3
InChIKeyGXGCRTKYQDAOIH-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.07
Rot. Bonds6

About 1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine

1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine (PubChem CID 63020144) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is 1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
PubChem CID63020144
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC Name1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(Br)c1OCc1cnc(C)s1
InChIInChI=1S/C15H19BrN2OS/c1-3-12(17)7-11-5-4-6-14(16)15(11)19-9-13-8-18-10(2)20-13/h4-6,8,12H,3,7,9,17H2,1-2H3
InChIKeyGXGCRTKYQDAOIH-UHFFFAOYSA-N
XLogP4.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.07
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
N-[[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 63020469
1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 112615879
1-(3-bromo-2-propoxyphenyl)butan-2-amine
CID 61392389
1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine
CID 61392036
1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine
CID 115958837
1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine
CID 104808041
1-(2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 65017713
[3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine
CID 112607840
1-[3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 63020493
2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 112615245
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609118

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine (CID 63020144) is 1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1cccc(Br)c1OCc1cnc(C)s1.
What is the InChIKey of 1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is GXGCRTKYQDAOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c1-3-12(17)7-11-5-4-6-14(16)15(11)19-9-13-8-18-10(2)20-13/h4-6,8,12H,3,7,9,17H2,1-2H3.
What are the key properties of 1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine?
1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 355.30 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 63020144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).