2-(2-aminoethyl)-5-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)aniline

C16H19BrN2S — CID 63785701

IUPAC2-(2-aminoethyl)-5-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)aniline
SMILESNCCc1ccc(Br)cc1N(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H19BrN2S/c17-14-2-1-13(5-7-18)16(9-14)19(15-3-4-15)10-12-6-8-20-11-12/h1-2,6,8-9,11,15H,3-5,7,10,18H2
InChIKeyFIMFLIVFYQMZKT-UHFFFAOYSA-N
MW351.31 g/mol
LogP4.18
Rot. Bonds6

About 2-(2-aminoethyl)-5-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)aniline

2-(2-aminoethyl)-5-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)aniline (PubChem CID 63785701) has the molecular formula C16H19BrN2S and a molecular weight of 351.31 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)aniline
PubChem CID63785701
Molecular FormulaC16H19BrN2S
Molecular Weight351.31 g/mol
Exact Mass350.05
IUPAC Name2-(2-aminoethyl)-5-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)aniline
SMILESNCCc1ccc(Br)cc1N(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H19BrN2S/c17-14-2-1-13(5-7-18)16(9-14)19(15-3-4-15)10-12-6-8-20-11-12/h1-2,6,8-9,11,15H,3-5,7,10,18H2
InChIKeyFIMFLIVFYQMZKT-UHFFFAOYSA-N
XLogP4.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 55135535
4-bromo-2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzonitrile
CID 114901541
5-bromo-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 79712882
1-N-cyclopropyl-4-fluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 61434045
6-N-cyclopropyl-6-N-(thiophen-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 61434094
3-bromo-4-[cyclopropyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide
CID 82799106
6-bromo-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 116796613
1-[3-bromo-4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone
CID 63533701
2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline
CID 43264393
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 61433428
5-chloro-2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76944740
1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-fluorophenyl]ethanol
CID 61434878

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 2-(2-aminoethyl)-5-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)aniline (CID 63785701) is 2-(2-aminoethyl)-5-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-5-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-5-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)aniline is NCCc1ccc(Br)cc1N(Cc1ccsc1)C1CC1.
What is the InChIKey of 2-(2-aminoethyl)-5-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is FIMFLIVFYQMZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2S/c17-14-2-1-13(5-7-18)16(9-14)19(15-3-4-15)10-12-6-8-20-11-12/h1-2,6,8-9,11,15H,3-5,7,10,18H2.
What are the key properties of 2-(2-aminoethyl)-5-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)aniline?
2-(2-aminoethyl)-5-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 351.31 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 63785701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).