2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine

C14H14Br3NS — CID 43331832

IUPAC2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine
SMILESCC(C)C(N)c1ccc(-c2c(Br)cc(Br)cc2Br)s1
InChIInChI=1S/C14H14Br3NS/c1-7(2)14(18)12-4-3-11(19-12)13-9(16)5-8(15)6-10(13)17/h3-7,14H,18H2,1-2H3
InChIKeyYCSATHJRPDVPTE-UHFFFAOYSA-N
MW468.05 g/mol
LogP6.36
Rot. Bonds3

About 2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine

2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine (PubChem CID 43331832) has the molecular formula C14H14Br3NS and a molecular weight of 468.05 g/mol. Its IUPAC name is 2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine
PubChem CID43331832
Molecular FormulaC14H14Br3NS
Molecular Weight468.05 g/mol
Exact Mass464.84
IUPAC Name2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine
SMILESCC(C)C(N)c1ccc(-c2c(Br)cc(Br)cc2Br)s1
InChIInChI=1S/C14H14Br3NS/c1-7(2)14(18)12-4-3-11(19-12)13-9(16)5-8(15)6-10(13)17/h3-7,14H,18H2,1-2H3
InChIKeyYCSATHJRPDVPTE-UHFFFAOYSA-N
XLogP6.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.05
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 107577065
1-[5-(3-bromo-4-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 114262318
1-[5-[3-bromo-5-(trifluoromethyl)phenyl]thiophen-2-yl]-2-methylpropan-1-amine
CID 65490846
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154369
1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154231
N-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]butan-1-amine
CID 43288060
1-[5-(2,6-dibromo-4-chlorophenyl)thiophen-2-yl]propan-1-amine
CID 114209207
2-methyl-1-[5-(2-methylphenyl)thiophen-2-yl]propan-1-amine
CID 43363500
1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine
CID 61470004
2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 43154485
1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154444
1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 114260897

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine (CID 43331832) is 2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine is CC(C)C(N)c1ccc(-c2c(Br)cc(Br)cc2Br)s1.
What is the InChIKey of 2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine?
The InChIKey is YCSATHJRPDVPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br3NS/c1-7(2)14(18)12-4-3-11(19-12)13-9(16)5-8(15)6-10(13)17/h3-7,14H,18H2,1-2H3.
What are the key properties of 2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine?
2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine has a molecular weight of 468.05 g/mol, XLogP of 6.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine is sourced from PubChem (CID 43331832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).