2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline

C16H25BrN2 — CID 107402418

IUPAC2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline
SMILESCCN(CC1CCC1)c1cc(Br)ccc1CC(C)N
InChIInChI=1S/C16H25BrN2/c1-3-19(11-13-5-4-6-13)16-10-15(17)8-7-14(16)9-12(2)18/h7-8,10,12-13H,3-6,9,11,18H2,1-2H3
InChIKeyWUOUSNGHOTZASB-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.97
Rot. Bonds6

About 2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline

2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline (PubChem CID 107402418) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline
PubChem CID107402418
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline
SMILESCCN(CC1CCC1)c1cc(Br)ccc1CC(C)N
InChIInChI=1S/C16H25BrN2/c1-3-19(11-13-5-4-6-13)16-10-15(17)8-7-14(16)9-12(2)18/h7-8,10,12-13H,3-6,9,11,18H2,1-2H3
InChIKeyWUOUSNGHOTZASB-UHFFFAOYSA-N
XLogP3.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-ethylaniline
CID 107083804
2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline
CID 55235070
2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline
CID 107402451
2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline
CID 82967886
2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
CID 63785627
2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline
CID 63786948
2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 63795586
5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline
CID 63956035
2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline
CID 63784972
2-(2-aminobutyl)-5-bromo-N,N-diethylaniline
CID 63787244
2-(bromomethyl)-N-(cyclobutylmethyl)-N-ethylaniline
CID 107399750
4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline
CID 107399231

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline?
The IUPAC name of 2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline (CID 107402418) is 2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline.
What is the SMILES notation for 2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline?
The canonical SMILES for 2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline is CCN(CC1CCC1)c1cc(Br)ccc1CC(C)N.
What is the InChIKey of 2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline?
The InChIKey is WUOUSNGHOTZASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-3-19(11-13-5-4-6-13)16-10-15(17)8-7-14(16)9-12(2)18/h7-8,10,12-13H,3-6,9,11,18H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline?
2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline has a molecular weight of 325.29 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline is sourced from PubChem (CID 107402418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).