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

C14H15Br2NS — CID 55095600

IUPAC1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(Br)c1)Cc1sccc1Br
InChIInChI=1S/C14H15Br2NS/c1-17-12(9-14-13(16)5-6-18-14)8-10-3-2-4-11(15)7-10/h2-7,12,17H,8-9H2,1H3
InChIKeyNUKHBMLZRDRKLN-UHFFFAOYSA-N
MW389.16 g/mol
LogP4.65
Rot. Bonds5

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

1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine (PubChem CID 55095600) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
PubChem CID55095600
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC Name1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(Br)c1)Cc1sccc1Br
InChIInChI=1S/C14H15Br2NS/c1-17-12(9-14-13(16)5-6-18-14)8-10-3-2-4-11(15)7-10/h2-7,12,17H,8-9H2,1H3
InChIKeyNUKHBMLZRDRKLN-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

2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 63797942
1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-methylpropan-2-amine
CID 62603339
1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 62601306
1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 60819427
1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63412081
1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 60819594
1-(3-bromophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798989
1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine
CID 62603747
1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62550846
1-(3-bromophenyl)-3-(furan-3-yl)-N-methylpropan-2-amine
CID 83176008
1-(3-bromophenyl)-N-methylpent-4-yn-2-amine
CID 62234429
1-(3-bromophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131430

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine (CID 55095600) is 1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine is CNC(Cc1cccc(Br)c1)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine?
The InChIKey is NUKHBMLZRDRKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-17-12(9-14-13(16)5-6-18-14)8-10-3-2-4-11(15)7-10/h2-7,12,17H,8-9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine?
1-(3-bromophenyl)-3-(3-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-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 55095600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).