2-(2-aminopropyl)-5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylaniline

C15H18Br2N2S — CID 63816184

IUPAC2-(2-aminopropyl)-5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylaniline
SMILESCC(N)Cc1ccc(Br)cc1N(C)Cc1csc(Br)c1
InChIInChI=1S/C15H18Br2N2S/c1-10(18)5-12-3-4-13(16)7-14(12)19(2)8-11-6-15(17)20-9-11/h3-4,6-7,9-10H,5,8,18H2,1-2H3
InChIKeyHYUCOMSGNRSYTO-UHFFFAOYSA-N
MW418.20 g/mol
LogP4.80
Rot. Bonds5

About 2-(2-aminopropyl)-5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylaniline

2-(2-aminopropyl)-5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylaniline (PubChem CID 63816184) has the molecular formula C15H18Br2N2S and a molecular weight of 418.20 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylaniline
PubChem CID63816184
Molecular FormulaC15H18Br2N2S
Molecular Weight418.20 g/mol
Exact Mass415.96
IUPAC Name2-(2-aminopropyl)-5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylaniline
SMILESCC(N)Cc1ccc(Br)cc1N(C)Cc1csc(Br)c1
InChIInChI=1S/C15H18Br2N2S/c1-10(18)5-12-3-4-13(16)7-14(12)19(2)8-11-6-15(17)20-9-11/h3-4,6-7,9-10H,5,8,18H2,1-2H3
InChIKeyHYUCOMSGNRSYTO-UHFFFAOYSA-N
XLogP4.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.20
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminopropyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline
CID 114861417
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-(chloromethyl)-N-methylaniline
CID 63540822
2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 63815166
2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline
CID 63786948
2-(2-aminopropyl)-5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 63815965
2-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline
CID 63083687
(2S)-1-(5-bromothiophen-3-yl)propan-2-amine
CID 96875895
2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline
CID 55235070
1-[3-bromo-4-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]ethanol
CID 55130341
[2-[(5-bromothiophen-3-yl)methyl-methylamino]phenyl]methanol
CID 54982683
N-[(5-bromothiophen-3-yl)methyl]-2-(chloromethyl)-N-methylaniline
CID 63541636
2-(2-aminobutyl)-N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methylaniline
CID 63816363

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylaniline?
The IUPAC name of 2-(2-aminopropyl)-5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylaniline (CID 63816184) is 2-(2-aminopropyl)-5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylaniline.
What is the SMILES notation for 2-(2-aminopropyl)-5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylaniline?
The canonical SMILES for 2-(2-aminopropyl)-5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylaniline is CC(N)Cc1ccc(Br)cc1N(C)Cc1csc(Br)c1.
What is the InChIKey of 2-(2-aminopropyl)-5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylaniline?
The InChIKey is HYUCOMSGNRSYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2N2S/c1-10(18)5-12-3-4-13(16)7-14(12)19(2)8-11-6-15(17)20-9-11/h3-4,6-7,9-10H,5,8,18H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylaniline?
2-(2-aminopropyl)-5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylaniline has a molecular weight of 418.20 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylaniline is sourced from PubChem (CID 63816184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).