2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline

C14H21BrN2 — CID 82967886

IUPAC2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline
SMILESCCN(CC1CC1)c1cc(Br)ccc1C(C)N
InChIInChI=1S/C14H21BrN2/c1-3-17(9-11-4-5-11)14-8-12(15)6-7-13(14)10(2)16/h6-8,10-11H,3-5,9,16H2,1-2H3
InChIKeyXDBFRVCEPMMDQY-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.71
Rot. Bonds5

About 2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline

2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline (PubChem CID 82967886) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline
PubChem CID82967886
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline
SMILESCCN(CC1CC1)c1cc(Br)ccc1C(C)N
InChIInChI=1S/C14H21BrN2/c1-3-17(9-11-4-5-11)14-8-12(15)6-7-13(14)10(2)16/h6-8,10-11H,3-5,9,16H2,1-2H3
InChIKeyXDBFRVCEPMMDQY-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.71
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-(cyclobutylmethyl)-N-ethylaniline
CID 107402418
2-(1-aminoethyl)-5-bromo-N-ethyl-N-(2-methylbutyl)aniline
CID 82968747
2-(1-aminoethyl)-5-bromo-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 82971660
5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline
CID 63956035
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline
CID 82968388
1-[5-bromo-2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanone
CID 82966661
2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline
CID 107399251
2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline
CID 55235070
N-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine
CID 82968010
5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline
CID 82971768
4-bromo-2-[ethyl(piperidin-4-ylmethyl)amino]benzamide
CID 114905646

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline?
The IUPAC name of 2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline (CID 82967886) is 2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline.
What is the SMILES notation for 2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline?
The canonical SMILES for 2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline is CCN(CC1CC1)c1cc(Br)ccc1C(C)N.
What is the InChIKey of 2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline?
The InChIKey is XDBFRVCEPMMDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-3-17(9-11-4-5-11)14-8-12(15)6-7-13(14)10(2)16/h6-8,10-11H,3-5,9,16H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline?
2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline has a molecular weight of 297.24 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline is sourced from PubChem (CID 82967886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).