1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine

C13H15BrN2OS — CID 61332307

IUPAC1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCNC(c1nc(C)cs1)c1cc(Br)ccc1OC
InChIInChI=1S/C13H15BrN2OS/c1-8-7-18-13(16-8)12(15-2)10-6-9(14)4-5-11(10)17-3/h4-7,12,15H,1-3H3
InChIKeyDXYOUURHIRPIKG-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.53
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine

1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 61332307) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID61332307
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCNC(c1nc(C)cs1)c1cc(Br)ccc1OC
InChIInChI=1S/C13H15BrN2OS/c1-8-7-18-13(16-8)12(15-2)10-6-9(14)4-5-11(10)17-3/h4-7,12,15H,1-3H3
InChIKeyDXYOUURHIRPIKG-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61332934
1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 61332500
1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine
CID 81110564
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 43480017
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 61330535
1-(5-bromo-2-methoxyphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 65237360
1-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43480052
1-(5-bromo-2-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 43480055
3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
CID 116951959
1-(5-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545863
1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62919212
1-(2-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 62413912

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine (CID 61332307) is 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine is CNC(c1nc(C)cs1)c1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is DXYOUURHIRPIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-8-7-18-13(16-8)12(15-2)10-6-9(14)4-5-11(10)17-3/h4-7,12,15H,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 327.25 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 61332307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).