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

C15H18BrClN2S — CID 114861417

IUPAC2-(2-aminopropyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline
SMILESCC(N)Cc1ccc(Cl)cc1N(C)Cc1csc(Br)c1
InChIInChI=1S/C15H18BrClN2S/c1-10(18)5-12-3-4-13(17)7-14(12)19(2)8-11-6-15(16)20-9-11/h3-4,6-7,9-10H,5,8,18H2,1-2H3
InChIKeyHBIUWFDNRFIELK-UHFFFAOYSA-N
MW373.75 g/mol
LogP4.69
Rot. Bonds5

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

2-(2-aminopropyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline (PubChem CID 114861417) has the molecular formula C15H18BrClN2S and a molecular weight of 373.75 g/mol. Its IUPAC name is 2-(2-aminopropyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline
PubChem CID114861417
Molecular FormulaC15H18BrClN2S
Molecular Weight373.75 g/mol
Exact Mass372.01
IUPAC Name2-(2-aminopropyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline
SMILESCC(N)Cc1ccc(Cl)cc1N(C)Cc1csc(Br)c1
InChIInChI=1S/C15H18BrClN2S/c1-10(18)5-12-3-4-13(17)7-14(12)19(2)8-11-6-15(16)20-9-11/h3-4,6-7,9-10H,5,8,18H2,1-2H3
InChIKeyHBIUWFDNRFIELK-UHFFFAOYSA-N
XLogP4.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.75
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminopropyl)-5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylaniline
CID 63816184
2-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline
CID 63083687
2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 114861661
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-(chloromethyl)-N-methylaniline
CID 63540822
2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline
CID 114861429
2-(2-aminopropyl)-5-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 114861536
2-(2-aminobutyl)-N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methylaniline
CID 63816363
(2S)-1-(5-bromothiophen-3-yl)propan-2-amine
CID 96875895
(1R)-1-[4-[(5-bromothiophen-3-yl)methyl-methylamino]-3-chlorophenyl]ethanol
CID 63371224
N-[(5-bromothiophen-3-yl)methyl]-2-(chloromethyl)-N-methylaniline
CID 63541636
1-N-[(5-bromothiophen-3-yl)methyl]-4-chloro-5-fluoro-1-N-methylbenzene-1,2-diamine
CID 66078403
2-(2-aminopropyl)-4-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 114861654

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline?
The IUPAC name of 2-(2-aminopropyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline (CID 114861417) is 2-(2-aminopropyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline.
What is the SMILES notation for 2-(2-aminopropyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline?
The canonical SMILES for 2-(2-aminopropyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline is CC(N)Cc1ccc(Cl)cc1N(C)Cc1csc(Br)c1.
What is the InChIKey of 2-(2-aminopropyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline?
The InChIKey is HBIUWFDNRFIELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2S/c1-10(18)5-12-3-4-13(17)7-14(12)19(2)8-11-6-15(16)20-9-11/h3-4,6-7,9-10H,5,8,18H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline?
2-(2-aminopropyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline has a molecular weight of 373.75 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline is sourced from PubChem (CID 114861417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).