4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline

C14H23BrN2 — CID 82971405

IUPAC4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1cc(Br)ccc1N(C)CC
InChIInChI=1S/C14H23BrN2/c1-5-9-16-11(3)13-10-12(15)7-8-14(13)17(4)6-2/h7-8,10-11,16H,5-6,9H2,1-4H3
InChIKeyABIKCZHBLFAXIL-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.97
Rot. Bonds6

About 4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline

4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline (PubChem CID 82971405) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline
PubChem CID82971405
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1cc(Br)ccc1N(C)CC
InChIInChI=1S/C14H23BrN2/c1-5-9-16-11(3)13-10-12(15)7-8-14(13)17(4)6-2/h7-8,10-11,16H,5-6,9H2,1-4H3
InChIKeyABIKCZHBLFAXIL-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

4-bromo-N-methyl-N-(2-methylpropyl)-2-[1-(propylamino)ethyl]aniline
CID 82971713
N-[4-bromo-2-[1-(propylamino)ethyl]phenyl]-N-methyloxolan-3-amine
CID 82968688
2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol
CID 82967927
2-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]ethanol
CID 82971726
3-[4-bromo-2-[1-(ethylamino)ethyl]-N-methylanilino]-2-methylpropanenitrile
CID 82968217
5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline
CID 82955006
5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline
CID 82968453
5-bromo-2-[1-(propylamino)ethyl]phenol
CID 82976016
N-[1-(5-bromo-2-imidazol-1-ylphenyl)ethyl]propan-1-amine
CID 82968272
4-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-(2-methylpropyl)aniline
CID 82972419
N-[1-[5-bromo-2-(3-methylbutan-2-ylsulfanyl)phenyl]ethyl]propan-1-amine
CID 107750763
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
CID 82971800

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline?
The IUPAC name of 4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline (CID 82971405) is 4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline.
What is the SMILES notation for 4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline?
The canonical SMILES for 4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline is CCCNC(C)c1cc(Br)ccc1N(C)CC.
What is the InChIKey of 4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline?
The InChIKey is ABIKCZHBLFAXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-5-9-16-11(3)13-10-12(15)7-8-14(13)17(4)6-2/h7-8,10-11,16H,5-6,9H2,1-4H3.
What are the key properties of 4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline?
4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)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 4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline is sourced from PubChem (CID 82971405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).