1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine

C16H20BrNS — CID 114330528

IUPAC1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCNC(CCc1ccsc1)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H20BrNS/c1-11-8-14(9-12(2)16(11)17)15(18-3)5-4-13-6-7-19-10-13/h6-10,15,18H,4-5H2,1-3H3
InChIKeyRHHAQGRDHHFROK-UHFFFAOYSA-N
MW338.31 g/mol
LogP5.02
Rot. Bonds5

About 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine

1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 114330528) has the molecular formula C16H20BrNS and a molecular weight of 338.31 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
PubChem CID114330528
Molecular FormulaC16H20BrNS
Molecular Weight338.31 g/mol
Exact Mass337.05
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCNC(CCc1ccsc1)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H20BrNS/c1-11-8-14(9-12(2)16(11)17)15(18-3)5-4-13-6-7-19-10-13/h6-10,15,18H,4-5H2,1-3H3
InChIKeyRHHAQGRDHHFROK-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.31
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 107993221
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 115856930
1-(3,5-dibromo-2-pyridinyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 113398628
N-methyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-3-ylpropan-1-amine
CID 81143798
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 105147976
[1-(5-bromothiophen-3-yl)-3-thiophen-3-ylpropyl]hydrazine
CID 105306858
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 105147937
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114330447
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 114330389
N-methyl-1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147974
1-(3-bromo-5-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 107945833
1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-N-methylpropan-1-amine
CID 114330463

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine (CID 114330528) is 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine is CNC(CCc1ccsc1)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is RHHAQGRDHHFROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNS/c1-11-8-14(9-12(2)16(11)17)15(18-3)5-4-13-6-7-19-10-13/h6-10,15,18H,4-5H2,1-3H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 338.31 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-N-methyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 114330528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).