5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline

C17H23BrN2S — CID 63551371

IUPAC5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
SMILESCCNCc1ccc(Br)cc1N(Cc1cccs1)C(C)C
InChIInChI=1S/C17H23BrN2S/c1-4-19-11-14-7-8-15(18)10-17(14)20(13(2)3)12-16-6-5-9-21-16/h5-10,13,19H,4,11-12H2,1-3H3
InChIKeyFYFPYAJVYUOBNV-UHFFFAOYSA-N
MW367.36 g/mol
LogP5.04
Rot. Bonds7

About 5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline

5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 63551371) has the molecular formula C17H23BrN2S and a molecular weight of 367.36 g/mol. Its IUPAC name is 5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
PubChem CID63551371
Molecular FormulaC17H23BrN2S
Molecular Weight367.36 g/mol
Exact Mass366.08
IUPAC Name5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
SMILESCCNCc1ccc(Br)cc1N(Cc1cccs1)C(C)C
InChIInChI=1S/C17H23BrN2S/c1-4-19-11-14-7-8-15(18)10-17(14)20(13(2)3)12-16-6-5-9-21-16/h5-10,13,19H,4,11-12H2,1-3H3
InChIKeyFYFPYAJVYUOBNV-UHFFFAOYSA-N
XLogP5.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.36
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol
CID 61452163
3-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81246160
5-bromo-N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
CID 63552450
2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 114889562
5-bromo-N-methyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 43527761
4-bromo-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 114903971
5-bromo-N-methyl-2-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 79488935
5-bromo-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 114892475
N-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 105073477
5-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106971319
5-bromo-2-(bromomethyl)-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 107080216
4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 107274799

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline (CID 63551371) is 5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline is CCNCc1ccc(Br)cc1N(Cc1cccs1)C(C)C.
What is the InChIKey of 5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is FYFPYAJVYUOBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2S/c1-4-19-11-14-7-8-15(18)10-17(14)20(13(2)3)12-16-6-5-9-21-16/h5-10,13,19H,4,11-12H2,1-3H3.
What are the key properties of 5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline?
5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 367.36 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 63551371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).