1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine

C14H15Br2NS — CID 62602232

IUPAC1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(Br)cc1)Cc1ccc(Br)s1
InChIInChI=1S/C14H15Br2NS/c1-17-12(9-13-6-7-14(16)18-13)8-10-2-4-11(15)5-3-10/h2-7,12,17H,8-9H2,1H3
InChIKeyTURDLGPSIHWADU-UHFFFAOYSA-N
MW389.16 g/mol
LogP4.65
Rot. Bonds5

About 1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine

1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine (PubChem CID 62602232) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
PubChem CID62602232
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC Name1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(Br)cc1)Cc1ccc(Br)s1
InChIInChI=1S/C14H15Br2NS/c1-17-12(9-13-6-7-14(16)18-13)8-10-2-4-11(15)5-3-10/h2-7,12,17H,8-9H2,1H3
InChIKeyTURDLGPSIHWADU-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.16
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine
CID 116660483
1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-2-amine
CID 55095389
1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132170
1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 115840992
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112
1-(5-bromothiophen-2-yl)-N-methyl-3-propylsulfanylpropan-2-amine
CID 65128497
1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine
CID 63412878
1-(4-bromophenyl)-N-methylpentan-2-amine
CID 60818837
1-(4-bromophenyl)-N,4-dimethylhexan-2-amine
CID 62602616
1-(4-bromophenyl)-N-methylpent-4-en-2-amine
CID 61380777
3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516504
1-(4-bromophenyl)-N-methylpent-4-yn-2-amine
CID 62234248

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine (CID 62602232) is 1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine is CNC(Cc1ccc(Br)cc1)Cc1ccc(Br)s1.
What is the InChIKey of 1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine?
The InChIKey is TURDLGPSIHWADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-17-12(9-13-6-7-14(16)18-13)8-10-2-4-11(15)5-3-10/h2-7,12,17H,8-9H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine?
1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine has a molecular weight of 389.16 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 62602232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).