1-(3-bromo-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine

C14H17BrN2OS — CID 62797223

IUPAC1-(3-bromo-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCOc1ccc(CC(N)Cc2nc(C)cs2)cc1Br
InChIInChI=1S/C14H17BrN2OS/c1-9-8-19-14(17-9)7-11(16)5-10-3-4-13(18-2)12(15)6-10/h3-4,6,8,11H,5,7,16H2,1-2H3
InChIKeyKHSWHKKSNNZQCO-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.34
Rot. Bonds5

About 1-(3-bromo-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine

1-(3-bromo-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 62797223) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID62797223
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name1-(3-bromo-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCOc1ccc(CC(N)Cc2nc(C)cs2)cc1Br
InChIInChI=1S/C14H17BrN2OS/c1-9-8-19-14(17-9)7-11(16)5-10-3-4-13(18-2)12(15)6-10/h3-4,6,8,11H,5,7,16H2,1-2H3
InChIKeyKHSWHKKSNNZQCO-UHFFFAOYSA-N
XLogP3.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899973
1-(3-bromo-4-methoxyphenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 115818090
2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105110930
1-(3-bromo-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105110880
1-(3-bromo-4-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238584
1-(3-bromo-4-methoxyphenyl)nonan-2-amine
CID 115818004
1-(3-bromo-4-methoxyphenyl)-3-(cyclohexen-1-yl)propan-2-amine
CID 116661239
[2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine
CID 107504894
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-(3-bromo-4-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 54971373
1-(3-bromo-4-methoxyphenyl)-4,6,6-trimethylheptan-2-amine
CID 115817712
2-(3-bromo-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105110877

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (CID 62797223) is 1-(3-bromo-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is COc1ccc(CC(N)Cc2nc(C)cs2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is KHSWHKKSNNZQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-9-8-19-14(17-9)7-11(16)5-10-3-4-13(18-2)12(15)6-10/h3-4,6,8,11H,5,7,16H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
1-(3-bromo-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 341.27 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 62797223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).