5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline

C14H23BrN2 — CID 82971768

IUPAC5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline
SMILESCCNC(C)c1ccc(Br)cc1N(CC)CC
InChIInChI=1S/C14H23BrN2/c1-5-16-11(4)13-9-8-12(15)10-14(13)17(6-2)7-3/h8-11,16H,5-7H2,1-4H3
InChIKeyXQEMLFNMUCIVNY-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.97
Rot. Bonds6

About 5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline

5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline (PubChem CID 82971768) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline.

Molecular Properties

Compound Name5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline
PubChem CID82971768
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline
SMILESCCNC(C)c1ccc(Br)cc1N(CC)CC
InChIInChI=1S/C14H23BrN2/c1-5-16-11(4)13-9-8-12(15)10-14(13)17(6-2)7-3/h8-11,16H,5-7H2,1-4H3
InChIKeyXQEMLFNMUCIVNY-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline
CID 82968474
2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propylanilino]ethanol
CID 82971735
4-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-(2-methylpropyl)aniline
CID 82972419
2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol
CID 82968775
N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine
CID 82971887
1-(4-bromo-2-propan-2-ylsulfanylphenyl)-N-ethylethanamine
CID 82969763
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
CID 82971800
3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol
CID 102863395
5-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 82954658
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 82968175
1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine
CID 82976363
5-bromo-2-[1-(methylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 82968783

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline?
The IUPAC name of 5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline (CID 82971768) is 5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline.
What is the SMILES notation for 5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline?
The canonical SMILES for 5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline is CCNC(C)c1ccc(Br)cc1N(CC)CC.
What is the InChIKey of 5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline?
The InChIKey is XQEMLFNMUCIVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-5-16-11(4)13-9-8-12(15)10-14(13)17(6-2)7-3/h8-11,16H,5-7H2,1-4H3.
What are the key properties of 5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline?
5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline has a molecular weight of 299.26 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 5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline is sourced from PubChem (CID 82971768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).