1-(4,5-dibromothiophen-2-yl)-N-methyl-2-phenylpropan-1-amine

C14H15Br2NS — CID 114028798

IUPAC1-(4,5-dibromothiophen-2-yl)-N-methyl-2-phenylpropan-1-amine
SMILESCNC(c1cc(Br)c(Br)s1)C(C)c1ccccc1
InChIInChI=1S/C14H15Br2NS/c1-9(10-6-4-3-5-7-10)13(17-2)12-8-11(15)14(16)18-12/h3-9,13,17H,1-2H3
InChIKeyCNZJNTHNFPJQMK-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.34
Rot. Bonds4

About 1-(4,5-dibromothiophen-2-yl)-N-methyl-2-phenylpropan-1-amine

1-(4,5-dibromothiophen-2-yl)-N-methyl-2-phenylpropan-1-amine (PubChem CID 114028798) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-methyl-2-phenylpropan-1-amine
PubChem CID114028798
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-methyl-2-phenylpropan-1-amine
SMILESCNC(c1cc(Br)c(Br)s1)C(C)c1ccccc1
InChIInChI=1S/C14H15Br2NS/c1-9(10-6-4-3-5-7-10)13(17-2)12-8-11(15)14(16)18-12/h3-9,13,17H,1-2H3
InChIKeyCNZJNTHNFPJQMK-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methyl-2-phenylpropan-1-amine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methyl-2-phenylpropan-1-amine (CID 114028798) is 1-(4,5-dibromothiophen-2-yl)-N-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-methyl-2-phenylpropan-1-amine is CNC(c1cc(Br)c(Br)s1)C(C)c1ccccc1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-methyl-2-phenylpropan-1-amine?
The InChIKey is CNZJNTHNFPJQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-9(10-6-4-3-5-7-10)13(17-2)12-8-11(15)14(16)18-12/h3-9,13,17H,1-2H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-methyl-2-phenylpropan-1-amine?
1-(4,5-dibromothiophen-2-yl)-N-methyl-2-phenylpropan-1-amine has a molecular weight of 389.16 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-N-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 114028798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).